CAS 2380-91-8

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Also known as: 2380-91-8, 1-(p-hydroxyphenyl) ethanol, 4-hydroxyphenyl methyl carbinol, 1-(4'-hydroxyphenyl)ethanol, 4-hydroxy-alpha-methylbenzyl alcohol, 1-(4-hydroxyphenyl)ethanol

Molecular Formula

C₈H₁₀O₂

Molecular Weight

138.16 g/mol

InChI Key

PMRFBLQVGJNGLU-UHFFFAOYSA-N

1-(4-hydroxyphenyl)ethanol is a metabolite found in or produced by Saccharomyces cerevisiae.

1 2D Structure

CAS 2380-91-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(1-hydroxyethyl)phenol

2.1.2 InChI

InChI=1S/C8H10O2/c1-6(9)7-2-4-8(10)5-3-7/h2-6,9-10H,1H3

2.1.3 InChI Key

PMRFBLQVGJNGLU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C1=CC=C(C=C1)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2380-91-8

2. 1-(p-hydroxyphenyl) Ethanol

3. 4-hydroxyphenyl Methyl Carbinol

4. 1-(4'-hydroxyphenyl)ethanol

5. 4-hydroxy-alpha-methylbenzyl Alcohol

6. 1-(4-hydroxyphenyl)ethanol

7. Benzenemethanol, 4-hydroxy-.alpha.-methyl-

8. 4-hydroxy-alpha-methyl-benzenemethanol

9. 1-(p-hydroxyphenyl)ethanol

10. Chebi:31042

11. 166164-76-7

12. Einecs 219-176-7

13. Benzenemethanol, 4-hydroxy-alpha-methyl-

14. Bmse010001

15. Schembl101582

16. P-hydroxyphenyl Methyl Carbinol

17. Chembl507057

18. Dtxsid30862911

19. Mfcd00016858

20. Akos000249587

21. Cs-w006209

22. H1694

23. Ns00050115

24. En300-74400

25. Benzenemethanol, 4-hydroxy-

26. A-methyl-, (

27. Ar)-

28. A816917

29. W-107373

30. Q27114094

2.3 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀O₂
Molecular Weight	138.16 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	40.5
Heavy Atom Count	10
Formal Charge	0
Complexity	95.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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