3-[4-(hydroxymethyl)phenyl]propanenitrile

C10H11NO — CID 84764367

IUPAC3-[4-(hydroxymethyl)phenyl]propanenitrile
SMILESN#CCCc1ccc(CO)cc1
InChIInChI=1S/C10H11NO/c11-7-1-2-9-3-5-10(8-12)6-4-9/h3-6,12H,1-2,8H2
InChIKeyYVKQOQSQRBJEPU-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.64
Rot. Bonds3

About 3-[4-(hydroxymethyl)phenyl]propanenitrile

3-[4-(hydroxymethyl)phenyl]propanenitrile (PubChem CID 84764367) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)phenyl]propanenitrile.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)phenyl]propanenitrile
PubChem CID84764367
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-[4-(hydroxymethyl)phenyl]propanenitrile
SMILESN#CCCc1ccc(CO)cc1
InChIInChI=1S/C10H11NO/c11-7-1-2-9-3-5-10(8-12)6-4-9/h3-6,12H,1-2,8H2
InChIKeyYVKQOQSQRBJEPU-UHFFFAOYSA-N
XLogP1.64
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(cyanomethyl)phenyl]propanenitrile
CID 55267944
(4-but-3-ynylphenyl)methanol
CID 23596609
4-(2-cyanoethyl)benzoic acid
CID 19879196
3-[3-bromo-4-(hydroxymethyl)phenyl]propanenitrile
CID 130850533
3-[4-(difluoromethyl)phenyl]propanenitrile
CID 118813073
3-[4-(methylamino)phenyl]propanenitrile
CID 131609769
ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol
CID 144873732
4-[[4-(hydroxymethyl)phenyl]methylamino]butanenitrile
CID 107230942
3-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]propanenitrile
CID 150622052
3-[4-[2-(4-pentylphenyl)ethyl]phenyl]propanenitrile
CID 19789029
4-(2-cyanoethyl)benzenesulfonyl fluoride
CID 165452862
3-[4-[7-[4-(2-cyanoethyl)phenoxy]heptoxy]phenyl]propanenitrile
CID 67069748

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)phenyl]propanenitrile?
The IUPAC name of 3-[4-(hydroxymethyl)phenyl]propanenitrile (CID 84764367) is 3-[4-(hydroxymethyl)phenyl]propanenitrile.
What is the SMILES notation for 3-[4-(hydroxymethyl)phenyl]propanenitrile?
The canonical SMILES for 3-[4-(hydroxymethyl)phenyl]propanenitrile is N#CCCc1ccc(CO)cc1.
What is the InChIKey of 3-[4-(hydroxymethyl)phenyl]propanenitrile?
The InChIKey is YVKQOQSQRBJEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c11-7-1-2-9-3-5-10(8-12)6-4-9/h3-6,12H,1-2,8H2.
What are the key properties of 3-[4-(hydroxymethyl)phenyl]propanenitrile?
3-[4-(hydroxymethyl)phenyl]propanenitrile has a molecular weight of 161.20 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)phenyl]propanenitrile is sourced from PubChem (CID 84764367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).