1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile

C15H19NO — CID 79136969

IUPAC1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile
SMILESCc1ccccc1C(O)C1(C#N)CCC(C)C1
InChIInChI=1S/C15H19NO/c1-11-7-8-15(9-11,10-16)14(17)13-6-4-3-5-12(13)2/h3-6,11,14,17H,7-9H2,1-2H3
InChIKeyBEVOWPVLPQEWLD-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.36
Rot. Bonds2

About 1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile

1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile (PubChem CID 79136969) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile
PubChem CID79136969
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile
SMILESCc1ccccc1C(O)C1(C#N)CCC(C)C1
InChIInChI=1S/C15H19NO/c1-11-7-8-15(9-11,10-16)14(17)13-6-4-3-5-12(13)2/h3-6,11,14,17H,7-9H2,1-2H3
InChIKeyBEVOWPVLPQEWLD-UHFFFAOYSA-N
XLogP3.36
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[hydroxy-(2-methylphenyl)methyl]cyclooctane-1-carbonitrile
CID 80603593
1-[hydroxy-(2-methylphenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 79136881
1-[hydroxy(quinolin-4-yl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 79136284
1-[hydroxy-(5-methylfuran-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 79137005
1-[(2-ethylphenyl)-hydroxymethyl]-3-methylcyclohexane-1-carbonitrile
CID 79132331
1-[(1,3-dimethylpyrazol-4-yl)-hydroxymethyl]-3-methylcyclopentane-1-carbonitrile
CID 83095003
1-[(4-bromophenyl)-hydroxymethyl]-3-methylcyclopentane-1-carbonitrile
CID 79136299
1-[(2,3-dimethoxyphenyl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile
CID 79124724
1-[(3,4-dimethoxyphenyl)-hydroxymethyl]-3-methylcyclopentane-1-carbonitrile
CID 79131019
1-[(3-bromo-4-chlorophenyl)-hydroxymethyl]-3-methylcyclopentane-1-carbonitrile
CID 83241735
1-[hydroxy(naphthalen-2-yl)methyl]-3-methylcyclohexane-1-carbonitrile
CID 79125304
1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile
CID 79132598

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile?
The IUPAC name of 1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile (CID 79136969) is 1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile is Cc1ccccc1C(O)C1(C#N)CCC(C)C1.
What is the InChIKey of 1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile?
The InChIKey is BEVOWPVLPQEWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-7-8-15(9-11,10-16)14(17)13-6-4-3-5-12(13)2/h3-6,11,14,17H,7-9H2,1-2H3.
What are the key properties of 1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile?
1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile has a molecular weight of 229.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile is sourced from PubChem (CID 79136969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).