2-[(3-methylphenyl)methyl]cyclohexan-1-one

C14H18O — CID 15472354

IUPAC2-[(3-methylphenyl)methyl]cyclohexan-1-one
SMILESCc1cccc(CC2CCCCC2=O)c1
InChIInChI=1S/C14H18O/c1-11-5-4-6-12(9-11)10-13-7-2-3-8-14(13)15/h4-6,9,13H,2-3,7-8,10H2,1H3
InChIKeyNXCRVTKXNZMZRD-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.30
Rot. Bonds2

About 2-[(3-methylphenyl)methyl]cyclohexan-1-one

2-[(3-methylphenyl)methyl]cyclohexan-1-one (PubChem CID 15472354) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]cyclohexan-1-one
PubChem CID15472354
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-[(3-methylphenyl)methyl]cyclohexan-1-one
SMILESCc1cccc(CC2CCCCC2=O)c1
InChIInChI=1S/C14H18O/c1-11-5-4-6-12(9-11)10-13-7-2-3-8-14(13)15/h4-6,9,13H,2-3,7-8,10H2,1H3
InChIKeyNXCRVTKXNZMZRD-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

1-methoxy-3-methylbenzene;2-[(3-methoxyphenyl)methyl]cyclohexan-1-one
CID 145337501
(2S)-2-[(3-methoxyphenyl)methyl]cyclohexan-1-one
CID 57106440
2-[(4-methylphenyl)methyl]cyclopentan-1-one
CID 18714737
3-[(3-methylphenyl)methyl]azepan-2-one
CID 104679648
2-[2-[(3-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-one
CID 79577406
2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one
CID 62614567
3-[(3-methylphenyl)methyl]cyclohexan-1-one
CID 64520140
2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one
CID 82185908
2-[(4-methoxyphenyl)methyl]cyclopentan-1-one
CID 11790327
2-[(4-chloro-3-fluorophenyl)methyl]cyclopentan-1-one
CID 107882808
2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one
CID 79570431
3-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 64504844

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(3-methylphenyl)methyl]cyclohexan-1-one (CID 15472354) is 2-[(3-methylphenyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(3-methylphenyl)methyl]cyclohexan-1-one is Cc1cccc(CC2CCCCC2=O)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]cyclohexan-1-one?
The InChIKey is NXCRVTKXNZMZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-11-5-4-6-12(9-11)10-13-7-2-3-8-14(13)15/h4-6,9,13H,2-3,7-8,10H2,1H3.
What are the key properties of 2-[(3-methylphenyl)methyl]cyclohexan-1-one?
2-[(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 2-[(3-methylphenyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 15472354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).