(4R)-4-hydroxy-6-phenylhexanenitrile

C12H15NO — CID 15648925

IUPAC(4R)-4-hydroxy-6-phenylhexanenitrile
SMILESN#CCC[C@H](O)CCc1ccccc1
InChIInChI=1S/C12H15NO/c13-10-4-7-12(14)9-8-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-9H2/t12-/m0/s1
InChIKeyQRPNJMOBURKOFF-LBPRGKRZSA-N
MW189.26 g/mol
LogP2.28
Rot. Bonds5

About (4R)-4-hydroxy-6-phenylhexanenitrile

(4R)-4-hydroxy-6-phenylhexanenitrile (PubChem CID 15648925) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (4R)-4-hydroxy-6-phenylhexanenitrile.

Molecular Properties

Compound Name(4R)-4-hydroxy-6-phenylhexanenitrile
PubChem CID15648925
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(4R)-4-hydroxy-6-phenylhexanenitrile
SMILESN#CCC[C@H](O)CCc1ccccc1
InChIInChI=1S/C12H15NO/c13-10-4-7-12(14)9-8-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-9H2/t12-/m0/s1
InChIKeyQRPNJMOBURKOFF-LBPRGKRZSA-N
XLogP2.28
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylhept-6-yn-3-ol
CID 63657298
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(4R,6R)-4,6-dihydroxy-5,5-dimethyl-8-phenyloctanenitrile
CID 15786597
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
1-phenylheptan-3-ol
CID 10420110
5-anilino-4-hydroxypentanenitrile
CID 174778334
(3R)-1-phenyl-5-trimethylsilylpentan-3-ol
CID 11601130
2-(2-cyanoethyl)-6-phenylhexanoic acid
CID 172865631
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
1,1,1-trifluoro-5-phenylpentan-3-ol
CID 61392717
(3S)-3-chloro-5-phenylpentanenitrile
CID 122393568

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-6-phenylhexanenitrile?
The IUPAC name of (4R)-4-hydroxy-6-phenylhexanenitrile (CID 15648925) is (4R)-4-hydroxy-6-phenylhexanenitrile.
What is the SMILES notation for (4R)-4-hydroxy-6-phenylhexanenitrile?
The canonical SMILES for (4R)-4-hydroxy-6-phenylhexanenitrile is N#CCC[C@H](O)CCc1ccccc1.
What is the InChIKey of (4R)-4-hydroxy-6-phenylhexanenitrile?
The InChIKey is QRPNJMOBURKOFF-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15NO/c13-10-4-7-12(14)9-8-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-9H2/t12-/m0/s1.
What are the key properties of (4R)-4-hydroxy-6-phenylhexanenitrile?
(4R)-4-hydroxy-6-phenylhexanenitrile has a molecular weight of 189.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-6-phenylhexanenitrile is sourced from PubChem (CID 15648925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).