3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile

C18H13NO — CID 102032186

IUPAC3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile
SMILESN#Cc1cccc([C@@H](O)c2cccc3ccccc23)c1
InChIInChI=1S/C18H13NO/c19-12-13-5-3-8-15(11-13)18(20)17-10-4-7-14-6-1-2-9-16(14)17/h1-11,18,20H/t18-/m1/s1
InChIKeyAALHVJSXJQTTSU-GOSISDBHSA-N
MW259.31 g/mol
LogP3.79
Rot. Bonds2

About 3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile

3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile (PubChem CID 102032186) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile
PubChem CID102032186
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile
SMILESN#Cc1cccc([C@@H](O)c2cccc3ccccc23)c1
InChIInChI=1S/C18H13NO/c19-12-13-5-3-8-15(11-13)18(20)17-10-4-7-14-6-1-2-9-16(14)17/h1-11,18,20H/t18-/m1/s1
InChIKeyAALHVJSXJQTTSU-GOSISDBHSA-N
XLogP3.79
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[hydroxy(phenyl)methyl]benzonitrile
CID 19003636
3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile
CID 115481118
(S)-(3-chlorophenyl)-naphthalen-1-ylmethanol
CID 94549161
3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile
CID 102158004
3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid
CID 82140892
3-[(2-fluoro-5-methylphenyl)-hydroxymethyl]benzonitrile
CID 113318876
3-[(1R)-1-hydroxypropyl]benzonitrile
CID 71419733
(S)-(4-chlorophenyl)-naphthalen-1-ylmethanol
CID 93489560
(2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile
CID 102509565
(S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol
CID 100804217
(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol
CID 81476478
3-[1-(1-methylnaphthalen-2-yl)-3-oxobutyl]benzonitrile
CID 143519891

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile?
The IUPAC name of 3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile (CID 102032186) is 3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile.
What is the SMILES notation for 3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile?
The canonical SMILES for 3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile is N#Cc1cccc([C@@H](O)c2cccc3ccccc23)c1.
What is the InChIKey of 3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile?
The InChIKey is AALHVJSXJQTTSU-GOSISDBHSA-N. The full InChI is InChI=1S/C18H13NO/c19-12-13-5-3-8-15(11-13)18(20)17-10-4-7-14-6-1-2-9-16(14)17/h1-11,18,20H/t18-/m1/s1.
What are the key properties of 3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile?
3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile is sourced from PubChem (CID 102032186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).