5-ethoxy-1-fluoro-3-methyl-2-[2-(4-propylcyclohexyl)ethyl]benzene

C20H31FO — CID 59592310

IUPAC5-ethoxy-1-fluoro-3-methyl-2-[2-(4-propylcyclohexyl)ethyl]benzene
SMILESCCCC1CCC(CCc2c(C)cc(OCC)cc2F)CC1
InChIInChI=1S/C20H31FO/c1-4-6-16-7-9-17(10-8-16)11-12-19-15(3)13-18(22-5-2)14-20(19)21/h13-14,16-17H,4-12H2,1-3H3
InChIKeyQKZRURXTWJCNSO-UHFFFAOYSA-N
MW306.47 g/mol
LogP6.07
Rot. Bonds7

About 5-ethoxy-1-fluoro-3-methyl-2-[2-(4-propylcyclohexyl)ethyl]benzene

5-ethoxy-1-fluoro-3-methyl-2-[2-(4-propylcyclohexyl)ethyl]benzene (PubChem CID 59592310) has the molecular formula C20H31FO and a molecular weight of 306.47 g/mol. Its IUPAC name is 5-ethoxy-1-fluoro-3-methyl-2-[2-(4-propylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name5-ethoxy-1-fluoro-3-methyl-2-[2-(4-propylcyclohexyl)ethyl]benzene
PubChem CID59592310
Molecular FormulaC20H31FO
Molecular Weight306.47 g/mol
Exact Mass306.24
IUPAC Name5-ethoxy-1-fluoro-3-methyl-2-[2-(4-propylcyclohexyl)ethyl]benzene
SMILESCCCC1CCC(CCc2c(C)cc(OCC)cc2F)CC1
InChIInChI=1S/C20H31FO/c1-4-6-16-7-9-17(10-8-16)11-12-19-15(3)13-18(22-5-2)14-20(19)21/h13-14,16-17H,4-12H2,1-3H3
InChIKeyQKZRURXTWJCNSO-UHFFFAOYSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.47
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-ethoxy-1-fluoro-3-methyl-2-[2-(4-propylcyclohexyl)ethyl]benzene 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

2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67847934
4-[3,3-difluoro-3-[4-(4-propylcyclohexyl)phenoxy]propyl]-1-ethoxy-2,3-difluoro-5-methylbenzene
CID 59592366
1-ethoxy-2-fluoro-5-methyl-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene
CID 59592268
1,3-difluoro-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-(4-propylcyclohexyl)benzene
CID 18979654
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-ethoxy-1,2,3,4-tetrahydronaphthalene
CID 139847867
1-butoxy-4-[2-(4-ethenylcyclohexyl)ethyl]-2,3-difluoro-5-methylbenzene
CID 59592372
[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol
CID 58141205
1-ethoxy-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]-2,3-bis(trifluoromethyl)benzene
CID 59592309
6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene
CID 140923464
1-(4-butylcyclohexyl)-4-ethoxy-2,5-difluorobenzene
CID 19103605
1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene
CID 22440333
1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene
CID 118312086

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-fluoro-3-methyl-2-[2-(4-propylcyclohexyl)ethyl]benzene?
The IUPAC name of 5-ethoxy-1-fluoro-3-methyl-2-[2-(4-propylcyclohexyl)ethyl]benzene (CID 59592310) is 5-ethoxy-1-fluoro-3-methyl-2-[2-(4-propylcyclohexyl)ethyl]benzene.
What is the SMILES notation for 5-ethoxy-1-fluoro-3-methyl-2-[2-(4-propylcyclohexyl)ethyl]benzene?
The canonical SMILES for 5-ethoxy-1-fluoro-3-methyl-2-[2-(4-propylcyclohexyl)ethyl]benzene is CCCC1CCC(CCc2c(C)cc(OCC)cc2F)CC1.
What is the InChIKey of 5-ethoxy-1-fluoro-3-methyl-2-[2-(4-propylcyclohexyl)ethyl]benzene?
The InChIKey is QKZRURXTWJCNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FO/c1-4-6-16-7-9-17(10-8-16)11-12-19-15(3)13-18(22-5-2)14-20(19)21/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of 5-ethoxy-1-fluoro-3-methyl-2-[2-(4-propylcyclohexyl)ethyl]benzene?
5-ethoxy-1-fluoro-3-methyl-2-[2-(4-propylcyclohexyl)ethyl]benzene has a molecular weight of 306.47 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-fluoro-3-methyl-2-[2-(4-propylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 59592310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).