(2-methylcyclohexyl)-phenylmethanone

C14H18O — CID 13148606

IUPAC(2-methylcyclohexyl)-phenylmethanone
SMILESCC1CCCCC1C(=O)c1ccccc1
InChIInChI=1S/C14H18O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3
InChIKeyLWLBEVLROBPJDQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.70
Rot. Bonds2

About (2-methylcyclohexyl)-phenylmethanone

(2-methylcyclohexyl)-phenylmethanone (PubChem CID 13148606) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (2-methylcyclohexyl)-phenylmethanone.

Molecular Properties

Compound Name(2-methylcyclohexyl)-phenylmethanone
PubChem CID13148606
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(2-methylcyclohexyl)-phenylmethanone
SMILESCC1CCCCC1C(=O)c1ccccc1
InChIInChI=1S/C14H18O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3
InChIKeyLWLBEVLROBPJDQ-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl)-phenylmethanone?
The IUPAC name of (2-methylcyclohexyl)-phenylmethanone (CID 13148606) is (2-methylcyclohexyl)-phenylmethanone.
What is the SMILES notation for (2-methylcyclohexyl)-phenylmethanone?
The canonical SMILES for (2-methylcyclohexyl)-phenylmethanone is CC1CCCCC1C(=O)c1ccccc1.
What is the InChIKey of (2-methylcyclohexyl)-phenylmethanone?
The InChIKey is LWLBEVLROBPJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3.
What are the key properties of (2-methylcyclohexyl)-phenylmethanone?
(2-methylcyclohexyl)-phenylmethanone has a molecular weight of 202.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl)-phenylmethanone is sourced from PubChem (CID 13148606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).