(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone

C17H23FO3 — CID 116749993

IUPAC(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCCOC1(C(=O)c2ccc(OC)c(F)c2)CCCC(C)C1
InChIInChI=1S/C17H23FO3/c1-4-21-17(9-5-6-12(2)11-17)16(19)13-7-8-15(20-3)14(18)10-13/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyWWOQAUATVBWGKC-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.00
Rot. Bonds5

About (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone

(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 116749993) has the molecular formula C17H23FO3 and a molecular weight of 294.37 g/mol. Its IUPAC name is (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID116749993
Molecular FormulaC17H23FO3
Molecular Weight294.37 g/mol
Exact Mass294.16
IUPAC Name(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCCOC1(C(=O)c2ccc(OC)c(F)c2)CCCC(C)C1
InChIInChI=1S/C17H23FO3/c1-4-21-17(9-5-6-12(2)11-17)16(19)13-7-8-15(20-3)14(18)10-13/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyWWOQAUATVBWGKC-UHFFFAOYSA-N
XLogP4.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)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-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749984
2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749944
(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 114642804
(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone
CID 116749812
ethyl 5-[[(1R,3S)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]-2-methoxybenzoate
CID 100762385
2-(3,5-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 105405541
1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116748238
(1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone
CID 116749917
cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 106652274
(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 116747941
1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 64550833
(1-ethoxycycloheptyl)-(4-fluoro-3-methylphenyl)methanone
CID 116750796

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone (CID 116749993) is (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone is CCOC1(C(=O)c2ccc(OC)c(F)c2)CCCC(C)C1.
What is the InChIKey of (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is WWOQAUATVBWGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO3/c1-4-21-17(9-5-6-12(2)11-17)16(19)13-7-8-15(20-3)14(18)10-13/h7-8,10,12H,4-6,9,11H2,1-3H3.
What are the key properties of (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone?
(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 294.37 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 116749993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).