(3R)-4-[4-(4-chlorophenyl)phenyl]-3-hydroxybutanenitrile

C16H14ClNO — CID 125477803

IUPAC(3R)-4-[4-(4-chlorophenyl)phenyl]-3-hydroxybutanenitrile
SMILESN#CC[C@H](O)Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO/c17-15-7-5-14(6-8-15)13-3-1-12(2-4-13)11-16(19)9-10-18/h1-8,16,19H,9,11H2/t16-/m0/s1
InChIKeyRLVFGWMWVFMFPP-INIZCTEOSA-N
MW271.75 g/mol
LogP3.82
Rot. Bonds4

About (3R)-4-[4-(4-chlorophenyl)phenyl]-3-hydroxybutanenitrile

(3R)-4-[4-(4-chlorophenyl)phenyl]-3-hydroxybutanenitrile (PubChem CID 125477803) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is (3R)-4-[4-(4-chlorophenyl)phenyl]-3-hydroxybutanenitrile.

Molecular Properties

Compound Name(3R)-4-[4-(4-chlorophenyl)phenyl]-3-hydroxybutanenitrile
PubChem CID125477803
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name(3R)-4-[4-(4-chlorophenyl)phenyl]-3-hydroxybutanenitrile
SMILESN#CC[C@H](O)Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO/c17-15-7-5-14(6-8-15)13-3-1-12(2-4-13)11-16(19)9-10-18/h1-8,16,19H,9,11H2/t16-/m0/s1
InChIKeyRLVFGWMWVFMFPP-INIZCTEOSA-N
XLogP3.82
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-4-(4-methylphenyl)butanenitrile
CID 82074874
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
4-(4-tert-butylphenyl)-3-hydroxybutanenitrile
CID 82079041
(3S)-4-[(4-chlorophenyl)methoxy]-3-hydroxybutanenitrile
CID 71446146
(3S)-4-[4-(cyclohepten-1-yl)phenyl]-3-hydroxybutanenitrile
CID 125465886
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
(3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile
CID 125466058
4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile
CID 82078369
1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol
CID 63410107
(2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 94905407
2-[4-[4-(2-hydroxypropyl)phenyl]phenyl]acetonitrile
CID 69279431
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(4-chlorophenyl)phenyl]-3-hydroxybutanenitrile?
The IUPAC name of (3R)-4-[4-(4-chlorophenyl)phenyl]-3-hydroxybutanenitrile (CID 125477803) is (3R)-4-[4-(4-chlorophenyl)phenyl]-3-hydroxybutanenitrile.
What is the SMILES notation for (3R)-4-[4-(4-chlorophenyl)phenyl]-3-hydroxybutanenitrile?
The canonical SMILES for (3R)-4-[4-(4-chlorophenyl)phenyl]-3-hydroxybutanenitrile is N#CC[C@H](O)Cc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of (3R)-4-[4-(4-chlorophenyl)phenyl]-3-hydroxybutanenitrile?
The InChIKey is RLVFGWMWVFMFPP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-15-7-5-14(6-8-15)13-3-1-12(2-4-13)11-16(19)9-10-18/h1-8,16,19H,9,11H2/t16-/m0/s1.
What are the key properties of (3R)-4-[4-(4-chlorophenyl)phenyl]-3-hydroxybutanenitrile?
(3R)-4-[4-(4-chlorophenyl)phenyl]-3-hydroxybutanenitrile has a molecular weight of 271.75 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(4-chlorophenyl)phenyl]-3-hydroxybutanenitrile is sourced from PubChem (CID 125477803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).