3-[(4-methoxyphenoxy)methyl]cyclohexan-1-one

C14H18O3 — CID 15420388

IUPAC3-[(4-methoxyphenoxy)methyl]cyclohexan-1-one
SMILESCOc1ccc(OCC2CCCC(=O)C2)cc1
InChIInChI=1S/C14H18O3/c1-16-13-5-7-14(8-6-13)17-10-11-3-2-4-12(15)9-11/h5-8,11H,2-4,9-10H2,1H3
InChIKeyGGRAXYINLYGMPO-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.83
Rot. Bonds4

About 3-[(4-methoxyphenoxy)methyl]cyclohexan-1-one

3-[(4-methoxyphenoxy)methyl]cyclohexan-1-one (PubChem CID 15420388) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[(4-methoxyphenoxy)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[(4-methoxyphenoxy)methyl]cyclohexan-1-one
PubChem CID15420388
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name3-[(4-methoxyphenoxy)methyl]cyclohexan-1-one
SMILESCOc1ccc(OCC2CCCC(=O)C2)cc1
InChIInChI=1S/C14H18O3/c1-16-13-5-7-14(8-6-13)17-10-11-3-2-4-12(15)9-11/h5-8,11H,2-4,9-10H2,1H3
InChIKeyGGRAXYINLYGMPO-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(4-methoxyphenoxy)methyl]cyclohexan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenoxy)methyl]cyclohexan-1-one?
The IUPAC name of 3-[(4-methoxyphenoxy)methyl]cyclohexan-1-one (CID 15420388) is 3-[(4-methoxyphenoxy)methyl]cyclohexan-1-one.
What is the SMILES notation for 3-[(4-methoxyphenoxy)methyl]cyclohexan-1-one?
The canonical SMILES for 3-[(4-methoxyphenoxy)methyl]cyclohexan-1-one is COc1ccc(OCC2CCCC(=O)C2)cc1.
What is the InChIKey of 3-[(4-methoxyphenoxy)methyl]cyclohexan-1-one?
The InChIKey is GGRAXYINLYGMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-16-13-5-7-14(8-6-13)17-10-11-3-2-4-12(15)9-11/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of 3-[(4-methoxyphenoxy)methyl]cyclohexan-1-one?
3-[(4-methoxyphenoxy)methyl]cyclohexan-1-one has a molecular weight of 234.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenoxy)methyl]cyclohexan-1-one is sourced from PubChem (CID 15420388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).