3-[(3-methylphenyl)methyl]cyclohexan-1-one

C14H18O — CID 64520140

IUPAC3-[(3-methylphenyl)methyl]cyclohexan-1-one
SMILESCc1cccc(CC2CCCC(=O)C2)c1
InChIInChI=1S/C14H18O/c1-11-4-2-5-12(8-11)9-13-6-3-7-14(15)10-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3
InChIKeyRKKYYFRIYXDJFJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.30
Rot. Bonds2

About 3-[(3-methylphenyl)methyl]cyclohexan-1-one

3-[(3-methylphenyl)methyl]cyclohexan-1-one (PubChem CID 64520140) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]cyclohexan-1-one
PubChem CID64520140
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name3-[(3-methylphenyl)methyl]cyclohexan-1-one
SMILESCc1cccc(CC2CCCC(=O)C2)c1
InChIInChI=1S/C14H18O/c1-11-4-2-5-12(8-11)9-13-6-3-7-14(15)10-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3
InChIKeyRKKYYFRIYXDJFJ-UHFFFAOYSA-N
XLogP3.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-bromophenyl)methyl]cycloheptan-1-one
CID 64503625
3-[methyl-[(3-methylphenyl)methyl]amino]cyclohexan-1-one
CID 79619185
1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene
CID 167535995
3-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 64504844
3-[(4-fluorophenyl)methyl]cyclohexan-1-one
CID 13439748
2-[(3-methylphenyl)methyl]cyclohexan-1-one
CID 15472354
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
3-[(3,4-difluorophenyl)methyl]cycloheptan-1-one
CID 82924472
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
1-methyl-3-[(3-methylcyclopentyl)methyl]benzene
CID 123940135
4-benzylcycloheptan-1-one
CID 57223081
1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene
CID 158679875

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]cyclohexan-1-one?
The IUPAC name of 3-[(3-methylphenyl)methyl]cyclohexan-1-one (CID 64520140) is 3-[(3-methylphenyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]cyclohexan-1-one?
The canonical SMILES for 3-[(3-methylphenyl)methyl]cyclohexan-1-one is Cc1cccc(CC2CCCC(=O)C2)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]cyclohexan-1-one?
The InChIKey is RKKYYFRIYXDJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-11-4-2-5-12(8-11)9-13-6-3-7-14(15)10-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3.
What are the key properties of 3-[(3-methylphenyl)methyl]cyclohexan-1-one?
3-[(3-methylphenyl)methyl]cyclohexan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 64520140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).