3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile

C14H10ClNO — CID 102158004

IUPAC3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile
SMILESN#Cc1cccc([C@H](O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H10ClNO/c15-13-6-4-11(5-7-13)14(17)12-3-1-2-10(8-12)9-16/h1-8,14,17H/t14-/m1/s1
InChIKeyMZTROFUTLGNAHC-CQSZACIVSA-N
MW243.69 g/mol
LogP3.29
Rot. Bonds2

About 3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile

3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile (PubChem CID 102158004) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile.

Molecular Properties

Compound Name3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile
PubChem CID102158004
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile
SMILESN#Cc1cccc([C@H](O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H10ClNO/c15-13-6-4-11(5-7-13)14(17)12-3-1-2-10(8-12)9-16/h1-8,14,17H/t14-/m1/s1
InChIKeyMZTROFUTLGNAHC-CQSZACIVSA-N
XLogP3.29
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[hydroxy(phenyl)methyl]benzonitrile
CID 19003636
3-[hydroxy(pyridin-3-yl)methyl]benzonitrile
CID 14989408
3-[1-(4-chlorophenyl)-3-hydroxybutan-2-yl]benzonitrile
CID 11529339
4-bromo-3-[(4-chlorophenyl)-hydroxymethyl]benzonitrile
CID 142416614
3-[(2-fluoro-5-methylphenyl)-hydroxymethyl]benzonitrile
CID 113318876
3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(hydroxy)methyl]benzonitrile
CID 115481169
3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile
CID 115481118
3-[(3-cyclobutylphenyl)-hydroxymethyl]benzonitrile
CID 114601548
3-[(2S)-1-(4-chlorophenyl)-3-oxobutan-2-yl]benzonitrile
CID 93476656
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
3-[(3-cyclopropyloxyphenyl)-hydroxymethyl]benzonitrile
CID 114520992

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile?
The IUPAC name of 3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile (CID 102158004) is 3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile.
What is the SMILES notation for 3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile?
The canonical SMILES for 3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile is N#Cc1cccc([C@H](O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile?
The InChIKey is MZTROFUTLGNAHC-CQSZACIVSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-13-6-4-11(5-7-13)14(17)12-3-1-2-10(8-12)9-16/h1-8,14,17H/t14-/m1/s1.
What are the key properties of 3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile?
3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile has a molecular weight of 243.69 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile is sourced from PubChem (CID 102158004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).