1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one

C16H22O3 — CID 115495273

IUPAC1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one
SMILESCOC1CCCC(Oc2ccc(CC(C)=O)cc2)C1
InChIInChI=1S/C16H22O3/c1-12(17)10-13-6-8-14(9-7-13)19-16-5-3-4-15(11-16)18-2/h6-9,15-16H,3-5,10-11H2,1-2H3
InChIKeyWXVAGHUUAONJCP-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.15
Rot. Bonds5

About 1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one

1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one (PubChem CID 115495273) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one
PubChem CID115495273
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one
SMILESCOC1CCCC(Oc2ccc(CC(C)=O)cc2)C1
InChIInChI=1S/C16H22O3/c1-12(17)10-13-6-8-14(9-7-13)19-16-5-3-4-15(11-16)18-2/h6-9,15-16H,3-5,10-11H2,1-2H3
InChIKeyWXVAGHUUAONJCP-UHFFFAOYSA-N
XLogP3.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one
CID 115495306
methyl (E)-2-[(4-cyclopentyloxyphenyl)methyl]-3,4-dimethylpent-2-enoate
CID 159801557
[4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229827
2-(4-cyclopentyloxyphenyl)acetamide
CID 82493829
1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone
CID 83120164
1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone
CID 104529355
3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid
CID 82161370
1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen
CID 142407732
N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine
CID 19038365
(1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine
CID 78958674
1-(4-cyclobutyloxyphenyl)propan-2-ol
CID 117295049
formamide;N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine
CID 19038364

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one?
The IUPAC name of 1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one (CID 115495273) is 1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one.
What is the SMILES notation for 1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one?
The canonical SMILES for 1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one is COC1CCCC(Oc2ccc(CC(C)=O)cc2)C1.
What is the InChIKey of 1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one?
The InChIKey is WXVAGHUUAONJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-12(17)10-13-6-8-14(9-7-13)19-16-5-3-4-15(11-16)18-2/h6-9,15-16H,3-5,10-11H2,1-2H3.
What are the key properties of 1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one?
1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one has a molecular weight of 262.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one is sourced from PubChem (CID 115495273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).