4-methoxy-4-phenylcyclohexan-1-one

C13H16O2 — CID 22492992

IUPAC4-methoxy-4-phenylcyclohexan-1-one
SMILESCOC1(c2ccccc2)CCC(=O)CC1
InChIInChI=1S/C13H16O2/c1-15-13(9-7-12(14)8-10-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyKMYXSIPOHJCYKH-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.67
Rot. Bonds2

About 4-methoxy-4-phenylcyclohexan-1-one

4-methoxy-4-phenylcyclohexan-1-one (PubChem CID 22492992) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-methoxy-4-phenylcyclohexan-1-one.

Molecular Properties

Compound Name4-methoxy-4-phenylcyclohexan-1-one
PubChem CID22492992
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name4-methoxy-4-phenylcyclohexan-1-one
SMILESCOC1(c2ccccc2)CCC(=O)CC1
InChIInChI=1S/C13H16O2/c1-15-13(9-7-12(14)8-10-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyKMYXSIPOHJCYKH-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl laurate
CID 8791
Benzyl octanoate
CID 82511
Benzyl caprate
CID 562246
alpha,alpha-Dimethylbenzyl isobutyrate
CID 11830590
1,2-Cyclohexanedicarboxylic Acid, 1-butyl 2-(phenylmethyl) ester
CID 67113211
Methyl cumyl ether
CID 70289
Benzyl nonanoate
CID 80960
1-Phenylethyl hexanoate
CID 103018
4-(Benzyloxy)cyclohexanone
CID 10987369
(5R)-5-(4-fluorophenyl)-3-[3-(methoxymethyl)phenyl]cyclohex-2-en-1-one
CID 44144025
5-Methyl-5-phenyloxolan-2-one
CID 88864
3-Methylene-5,5-diphenyldihydro-2(3H)-furanone
CID 549456

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-phenylcyclohexan-1-one?
The IUPAC name of 4-methoxy-4-phenylcyclohexan-1-one (CID 22492992) is 4-methoxy-4-phenylcyclohexan-1-one.
What is the SMILES notation for 4-methoxy-4-phenylcyclohexan-1-one?
The canonical SMILES for 4-methoxy-4-phenylcyclohexan-1-one is COC1(c2ccccc2)CCC(=O)CC1.
What is the InChIKey of 4-methoxy-4-phenylcyclohexan-1-one?
The InChIKey is KMYXSIPOHJCYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-15-13(9-7-12(14)8-10-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of 4-methoxy-4-phenylcyclohexan-1-one?
4-methoxy-4-phenylcyclohexan-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-phenylcyclohexan-1-one is sourced from PubChem (CID 22492992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).