3-chloro-2-fluoro-1-(4-methoxyphenyl)-4-(4-pentylcyclohexen-1-yl)benzene

C24H28ClFO — CID 59257432

IUPAC3-chloro-2-fluoro-1-(4-methoxyphenyl)-4-(4-pentylcyclohexen-1-yl)benzene
SMILESCCCCCC1CC=C(c2ccc(-c3ccc(OC)cc3)c(F)c2Cl)CC1
InChIInChI=1S/C24H28ClFO/c1-3-4-5-6-17-7-9-18(10-8-17)21-15-16-22(24(26)23(21)25)19-11-13-20(27-2)14-12-19/h9,11-17H,3-8,10H2,1-2H3
InChIKeyBAOADFXXYOFOBJ-UHFFFAOYSA-N
MW386.94 g/mol
LogP7.92
Rot. Bonds7

About 3-chloro-2-fluoro-1-(4-methoxyphenyl)-4-(4-pentylcyclohexen-1-yl)benzene

3-chloro-2-fluoro-1-(4-methoxyphenyl)-4-(4-pentylcyclohexen-1-yl)benzene (PubChem CID 59257432) has the molecular formula C24H28ClFO and a molecular weight of 386.94 g/mol. Its IUPAC name is 3-chloro-2-fluoro-1-(4-methoxyphenyl)-4-(4-pentylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name3-chloro-2-fluoro-1-(4-methoxyphenyl)-4-(4-pentylcyclohexen-1-yl)benzene
PubChem CID59257432
Molecular FormulaC24H28ClFO
Molecular Weight386.94 g/mol
Exact Mass386.18
IUPAC Name3-chloro-2-fluoro-1-(4-methoxyphenyl)-4-(4-pentylcyclohexen-1-yl)benzene
SMILESCCCCCC1CC=C(c2ccc(-c3ccc(OC)cc3)c(F)c2Cl)CC1
InChIInChI=1S/C24H28ClFO/c1-3-4-5-6-17-7-9-18(10-8-17)21-15-16-22(24(26)23(21)25)19-11-13-20(27-2)14-12-19/h9,11-17H,3-8,10H2,1-2H3
InChIKeyBAOADFXXYOFOBJ-UHFFFAOYSA-N
XLogP7.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.94
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-2-fluoro-1-(4-methoxyphenyl)-4-(4-pentylcyclohexen-1-yl)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-chloro-3-fluoro-1-(4-heptylcyclohexen-1-yl)-4-methoxybenzene
CID 59257444
1-butyl-3-chloro-2-fluoro-4-(4-pentylcyclohexen-1-yl)benzene
CID 59257379
1-butyl-3-chloro-2-fluoro-4-[4-[4-(4-pentylcyclohexen-1-yl)phenyl]phenyl]benzene
CID 59257363
2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene
CID 20500113
2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 59257225
1-[4-[2,3-difluoro-4-(4-heptylcyclohexen-1-yl)phenyl]phenyl]-2,3-difluoro-4-octylbenzene
CID 67731907
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-pentylcyclohexen-1-yl)benzene
CID 67731873
2-chloro-3-fluoro-1-[2-fluoro-4-(4-pentylcyclohexen-1-yl)phenyl]-4-methylbenzene
CID 59256977
3-chloro-1-(4-ethylcyclohexen-1-yl)-2-fluoro-4-(4-pentylphenyl)benzene
CID 59257383
3-chloro-2-fluoro-1-methoxy-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene
CID 59257345
1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-1-(4-methoxyphenyl)-4-(4-pentylcyclohexen-1-yl)benzene?
The IUPAC name of 3-chloro-2-fluoro-1-(4-methoxyphenyl)-4-(4-pentylcyclohexen-1-yl)benzene (CID 59257432) is 3-chloro-2-fluoro-1-(4-methoxyphenyl)-4-(4-pentylcyclohexen-1-yl)benzene.
What is the SMILES notation for 3-chloro-2-fluoro-1-(4-methoxyphenyl)-4-(4-pentylcyclohexen-1-yl)benzene?
The canonical SMILES for 3-chloro-2-fluoro-1-(4-methoxyphenyl)-4-(4-pentylcyclohexen-1-yl)benzene is CCCCCC1CC=C(c2ccc(-c3ccc(OC)cc3)c(F)c2Cl)CC1.
What is the InChIKey of 3-chloro-2-fluoro-1-(4-methoxyphenyl)-4-(4-pentylcyclohexen-1-yl)benzene?
The InChIKey is BAOADFXXYOFOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFO/c1-3-4-5-6-17-7-9-18(10-8-17)21-15-16-22(24(26)23(21)25)19-11-13-20(27-2)14-12-19/h9,11-17H,3-8,10H2,1-2H3.
What are the key properties of 3-chloro-2-fluoro-1-(4-methoxyphenyl)-4-(4-pentylcyclohexen-1-yl)benzene?
3-chloro-2-fluoro-1-(4-methoxyphenyl)-4-(4-pentylcyclohexen-1-yl)benzene has a molecular weight of 386.94 g/mol, XLogP of 7.92, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-1-(4-methoxyphenyl)-4-(4-pentylcyclohexen-1-yl)benzene is sourced from PubChem (CID 59257432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).