2-methoxy-1-(1-phenylcyclohexyl)ethanone

C15H20O2 — CID 79567283

IUPAC2-methoxy-1-(1-phenylcyclohexyl)ethanone
SMILESCOCC(=O)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C15H20O2/c1-17-12-14(16)15(10-6-3-7-11-15)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKeyVCXMYUPHJXTIOE-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.10
Rot. Bonds4

About 2-methoxy-1-(1-phenylcyclohexyl)ethanone

2-methoxy-1-(1-phenylcyclohexyl)ethanone (PubChem CID 79567283) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-methoxy-1-(1-phenylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(1-phenylcyclohexyl)ethanone
PubChem CID79567283
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-methoxy-1-(1-phenylcyclohexyl)ethanone
SMILESCOCC(=O)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C15H20O2/c1-17-12-14(16)15(10-6-3-7-11-15)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKeyVCXMYUPHJXTIOE-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(1-phenylcyclopentyl)ethanone
CID 79567147
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
3-methyl-1-(1-phenylcyclopentyl)pentan-1-one
CID 55179619
4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one
CID 114473546
3-methyl-1-(1-phenylcyclopentyl)hexan-1-one
CID 63410458
[2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid
CID 69250269
2-methylpropyl 1-phenylcyclohexane-1-carboxylate
CID 162502203
2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone
CID 130330381
1-(1-phenylcyclobutyl)pent-3-yn-1-one
CID 63078433
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone
CID 63410082
1-[4-(1,2-dimethoxyethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117446147

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(1-phenylcyclohexyl)ethanone?
The IUPAC name of 2-methoxy-1-(1-phenylcyclohexyl)ethanone (CID 79567283) is 2-methoxy-1-(1-phenylcyclohexyl)ethanone.
What is the SMILES notation for 2-methoxy-1-(1-phenylcyclohexyl)ethanone?
The canonical SMILES for 2-methoxy-1-(1-phenylcyclohexyl)ethanone is COCC(=O)C1(c2ccccc2)CCCCC1.
What is the InChIKey of 2-methoxy-1-(1-phenylcyclohexyl)ethanone?
The InChIKey is VCXMYUPHJXTIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-17-12-14(16)15(10-6-3-7-11-15)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3.
What are the key properties of 2-methoxy-1-(1-phenylcyclohexyl)ethanone?
2-methoxy-1-(1-phenylcyclohexyl)ethanone has a molecular weight of 232.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(1-phenylcyclohexyl)ethanone is sourced from PubChem (CID 79567283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).