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CAS 156453-53-1

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Also known as: 156453-53-1, (r)-alpha-[2-(1-naphthalenyloxy)ethyl]-benzenemethanol, (1r)-3-naphthalen-1-yloxy-1-phenylpropan-1-ol, (r)-, A-[2-(1-naphthalenyloxy)ethyl]-benzenemethanol, (1r)-3-(1-naphthyloxy)-1-phenylpropan-1-ol

Molecular Formula

C₁₉H₁₈O₂

Molecular Weight

278.3 g/mol

InChI Key

VFVBVEMVTNQIMZ-GOSISDBHSA-N

1 2D Structure

CAS 156453-53-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R)-3-naphthalen-1-yloxy-1-phenylpropan-1-ol

2.1.2 InChI

InChI=1S/C19H18O2/c20-18(16-8-2-1-3-9-16)13-14-21-19-12-6-10-15-7-4-5-11-17(15)19/h1-12,18,20H,13-14H2/t18-/m1/s1

2.1.3 InChI Key

VFVBVEMVTNQIMZ-GOSISDBHSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 156453-53-1

2. (r)-alpha-[2-(1-naphthalenyloxy)ethyl]-benzenemethanol

3. (1r)-3-naphthalen-1-yloxy-1-phenylpropan-1-ol

4. (r)-

5. A-[2-(1-naphthalenyloxy)ethyl]-benzenemethanol

6. (1r)-3-(1-naphthyloxy)-1-phenylpropan-1-ol

7. (1r)-3-(naphthalen-1-yloxy)-1-phenylpropan-1-ol

8. (ar)-a-[2-(1-naphthalenyloxy)ethyl]benzenemethanol

9. Mfcd22200056

10. Schembl6678503

11. Vfvbvemvtnqimz-gosisdbhsa-n

12. Bs-51377

13. Cs-0311829

14. (r)-(-)-3-(1-naphthalenyloxy)-1-phenyl-1-propanol

15. (alphar)-alpha-[2-(1-naphthalenyloxy)ethyl]benzenemethanol

2.3 Create Date

2011-12-04

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₈O₂
Molecular Weight	278.3 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	29.5
Heavy Atom Count	21
Formal Charge	0
Complexity	298
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1