(1-ethoxycyclohexyl)-(4-methylphenyl)methanone

C16H22O2 — CID 116748478

IUPAC(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
SMILESCCOC1(C(=O)c2ccc(C)cc2)CCCCC1
InChIInChI=1S/C16H22O2/c1-3-18-16(11-5-4-6-12-16)15(17)14-9-7-13(2)8-10-14/h7-10H,3-6,11-12H2,1-2H3
InChIKeyBFVLWENAYWHYCZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.92
Rot. Bonds4

About (1-ethoxycyclohexyl)-(4-methylphenyl)methanone

(1-ethoxycyclohexyl)-(4-methylphenyl)methanone (PubChem CID 116748478) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (1-ethoxycyclohexyl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
PubChem CID116748478
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
SMILESCCOC1(C(=O)c2ccc(C)cc2)CCCCC1
InChIInChI=1S/C16H22O2/c1-3-18-16(11-5-4-6-12-16)15(17)14-9-7-13(2)8-10-14/h7-10H,3-6,11-12H2,1-2H3
InChIKeyBFVLWENAYWHYCZ-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-ethoxycyclohexyl)-(4-methylphenyl)methanone 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-ethoxycyclohexyl)-(4-fluorophenyl)methanone
CID 116748423
(1-ethoxycyclohexyl)-(4-ethylphenyl)methanone
CID 116748429
(1-ethoxycycloheptyl)-(4-fluoro-3-methylphenyl)methanone
CID 116750796
(3,4-dichlorophenyl)-(1-ethoxycycloheptyl)methanone
CID 116750698
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone
CID 116748270
(1-ethoxycyclopentyl)-(furan-3-yl)methanone
CID 116747796
(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone
CID 116750841
(1-ethoxycyclohexyl)-(3-propylphenyl)methanone
CID 116748314
(1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone
CID 116750804
2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone
CID 116748355
(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclohexyl)-(4-methylphenyl)methanone?
The IUPAC name of (1-ethoxycyclohexyl)-(4-methylphenyl)methanone (CID 116748478) is (1-ethoxycyclohexyl)-(4-methylphenyl)methanone.
What is the SMILES notation for (1-ethoxycyclohexyl)-(4-methylphenyl)methanone?
The canonical SMILES for (1-ethoxycyclohexyl)-(4-methylphenyl)methanone is CCOC1(C(=O)c2ccc(C)cc2)CCCCC1.
What is the InChIKey of (1-ethoxycyclohexyl)-(4-methylphenyl)methanone?
The InChIKey is BFVLWENAYWHYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-18-16(11-5-4-6-12-16)15(17)14-9-7-13(2)8-10-14/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of (1-ethoxycyclohexyl)-(4-methylphenyl)methanone?
(1-ethoxycyclohexyl)-(4-methylphenyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexyl)-(4-methylphenyl)methanone is sourced from PubChem (CID 116748478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).