3-hydroxy-5-(4-methylphenyl)pentanenitrile

C12H15NO — CID 82075409

IUPAC3-hydroxy-5-(4-methylphenyl)pentanenitrile
SMILESCc1ccc(CCC(O)CC#N)cc1
InChIInChI=1S/C12H15NO/c1-10-2-4-11(5-3-10)6-7-12(14)8-9-13/h2-5,12,14H,6-8H2,1H3
InChIKeyFFFBGHKCRLEBEN-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.20
Rot. Bonds4

About 3-hydroxy-5-(4-methylphenyl)pentanenitrile

3-hydroxy-5-(4-methylphenyl)pentanenitrile (PubChem CID 82075409) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-hydroxy-5-(4-methylphenyl)pentanenitrile.

Molecular Properties

Compound Name3-hydroxy-5-(4-methylphenyl)pentanenitrile
PubChem CID82075409
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-hydroxy-5-(4-methylphenyl)pentanenitrile
SMILESCc1ccc(CCC(O)CC#N)cc1
InChIInChI=1S/C12H15NO/c1-10-2-4-11(5-3-10)6-7-12(14)8-9-13/h2-5,12,14H,6-8H2,1H3
InChIKeyFFFBGHKCRLEBEN-UHFFFAOYSA-N
XLogP2.20
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-4-(4-methylphenyl)butanenitrile
CID 82074874
1,4-bis(4-methylphenyl)butan-2-ol
CID 63016226
5-ethyl-1-(4-methylphenyl)heptan-3-ol
CID 105122523
1-(4-methylphenyl)dodecan-3-ol
CID 105084894
5-(4-methylphenyl)pentane-2,3-diol
CID 67119841
1-cyclopropyl-5-(4-methylphenyl)pentan-3-ol
CID 105105823
5-(4-hydroxyphenyl)-3-methylpentanenitrile
CID 14742686
2-methyl-5-(4-methylphenyl)pent-1-en-3-ol
CID 105110468
1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339
1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol
CID 22628511
2-[2-[4-[2-(4-methylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol
CID 130315848
4-(2,5-dimethylphenyl)-3-hydroxybutanenitrile
CID 82075422

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(4-methylphenyl)pentanenitrile?
The IUPAC name of 3-hydroxy-5-(4-methylphenyl)pentanenitrile (CID 82075409) is 3-hydroxy-5-(4-methylphenyl)pentanenitrile.
What is the SMILES notation for 3-hydroxy-5-(4-methylphenyl)pentanenitrile?
The canonical SMILES for 3-hydroxy-5-(4-methylphenyl)pentanenitrile is Cc1ccc(CCC(O)CC#N)cc1.
What is the InChIKey of 3-hydroxy-5-(4-methylphenyl)pentanenitrile?
The InChIKey is FFFBGHKCRLEBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-10-2-4-11(5-3-10)6-7-12(14)8-9-13/h2-5,12,14H,6-8H2,1H3.
What are the key properties of 3-hydroxy-5-(4-methylphenyl)pentanenitrile?
3-hydroxy-5-(4-methylphenyl)pentanenitrile has a molecular weight of 189.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(4-methylphenyl)pentanenitrile is sourced from PubChem (CID 82075409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).