4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile

C15H19NO — CID 43292101

IUPAC4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)C(OCc2ccccc2)C1
InChIInChI=1S/C15H19NO/c1-12-7-8-14(10-16)15(9-12)17-11-13-5-3-2-4-6-13/h2-6,12,14-15H,7-9,11H2,1H3
InChIKeyNXVWIMBQBRQSIJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.53
Rot. Bonds3

About 4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile

4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile (PubChem CID 43292101) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile
PubChem CID43292101
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)C(OCc2ccccc2)C1
InChIInChI=1S/C15H19NO/c1-12-7-8-14(10-16)15(9-12)17-11-13-5-3-2-4-6-13/h2-6,12,14-15H,7-9,11H2,1H3
InChIKeyNXVWIMBQBRQSIJ-UHFFFAOYSA-N
XLogP3.53
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol
CID 57170894
(2S)-2-methyl-2-[(1R,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]oxirane
CID 171358532
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
CID 59979356
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 43291873
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
methylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile
CID 155739038
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
CID 15567135
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile
CID 43292468

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile?
The IUPAC name of 4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile (CID 43292101) is 4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile.
What is the SMILES notation for 4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile?
The canonical SMILES for 4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile is CC1CCC(C#N)C(OCc2ccccc2)C1.
What is the InChIKey of 4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile?
The InChIKey is NXVWIMBQBRQSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-12-7-8-14(10-16)15(9-12)17-11-13-5-3-2-4-6-13/h2-6,12,14-15H,7-9,11H2,1H3.
What are the key properties of 4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile?
4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile has a molecular weight of 229.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile is sourced from PubChem (CID 43292101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).