3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene

C16H20ClFO — CID 59257307

IUPAC3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene
SMILESCCOc1ccc(C2=CCC(CC)CC2)c(Cl)c1F
InChIInChI=1S/C16H20ClFO/c1-3-11-5-7-12(8-6-11)13-9-10-14(19-4-2)16(18)15(13)17/h7,9-11H,3-6,8H2,1-2H3
InChIKeyAOZXYTUDDNKTDK-UHFFFAOYSA-N
MW282.79 g/mol
LogP5.47
Rot. Bonds4

About 3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene

3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene (PubChem CID 59257307) has the molecular formula C16H20ClFO and a molecular weight of 282.79 g/mol. Its IUPAC name is 3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene.

Molecular Properties

Compound Name3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene
PubChem CID59257307
Molecular FormulaC16H20ClFO
Molecular Weight282.79 g/mol
Exact Mass282.12
IUPAC Name3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene
SMILESCCOc1ccc(C2=CCC(CC)CC2)c(Cl)c1F
InChIInChI=1S/C16H20ClFO/c1-3-11-5-7-12(8-6-11)13-9-10-14(19-4-2)16(18)15(13)17/h7,9-11H,3-6,8H2,1-2H3
InChIKeyAOZXYTUDDNKTDK-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.79
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene 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-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
CID 168776499
3-chloro-1-ethoxy-2-fluoro-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexen-1-yl]benzene
CID 141281492
3-chloro-1-ethoxy-2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene
CID 59257238
1-[[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]methoxy]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 88967649
2-chloro-1-(cyclohexen-1-yl)-4-ethoxy-3-fluorobenzene
CID 153354265
2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 59257225
2-chloro-3-fluoro-1-(4-heptylcyclohexen-1-yl)-4-methoxybenzene
CID 59257444
1-[4-(2-chloro-4-ethoxy-3-fluorophenyl)phenyl]-4-(4-ethenylcyclohexen-1-yl)-2,3-difluorobenzene
CID 59257281
1-[4-[4-[[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenoxy]methyl]cyclohexen-1-yl]-2,3-difluorophenyl]ethanol
CID 88857230
1-butoxy-4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-3-chloro-2-fluorobenzene
CID 59257435
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]ethyl]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 88967533
1-[4-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 88856330

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene?
The IUPAC name of 3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene (CID 59257307) is 3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene.
What is the SMILES notation for 3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene?
The canonical SMILES for 3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene is CCOc1ccc(C2=CCC(CC)CC2)c(Cl)c1F.
What is the InChIKey of 3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene?
The InChIKey is AOZXYTUDDNKTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFO/c1-3-11-5-7-12(8-6-11)13-9-10-14(19-4-2)16(18)15(13)17/h7,9-11H,3-6,8H2,1-2H3.
What are the key properties of 3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene?
3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene has a molecular weight of 282.79 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene is sourced from PubChem (CID 59257307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).