1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene

C20H23Cl — CID 139911116

IUPAC1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene
SMILESCCC1CCC(c2ccc(-c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C20H23Cl/c1-2-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19-5-3-4-6-20(19)21/h3-6,11-16H,2,7-10H2,1H3
InChIKeyBLXXJFYVBWKGEY-UHFFFAOYSA-N
MW298.86 g/mol
LogP6.69
Rot. Bonds3

About 1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene

1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene (PubChem CID 139911116) has the molecular formula C20H23Cl and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene
PubChem CID139911116
Molecular FormulaC20H23Cl
Molecular Weight298.86 g/mol
Exact Mass298.15
IUPAC Name1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene
SMILESCCC1CCC(c2ccc(-c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C20H23Cl/c1-2-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19-5-3-4-6-20(19)21/h3-6,11-16H,2,7-10H2,1H3
InChIKeyBLXXJFYVBWKGEY-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.86
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-[4-(4-dodecylcyclohexyl)phenyl]benzene
CID 139911109
1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene
CID 139911152
1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 170842748
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene
CID 67782354
1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene
CID 139710983
1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane
CID 145009719
1-chloro-2-(4-chlorophenyl)benzene;dichloromethane
CID 175257983
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
4-[2-(4-ethylcyclohexyl)phenyl]benzonitrile
CID 57359220
1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 23188567

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene (CID 139911116) is 1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene is CCC1CCC(c2ccc(-c3ccccc3Cl)cc2)CC1.
What is the InChIKey of 1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene?
The InChIKey is BLXXJFYVBWKGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl/c1-2-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19-5-3-4-6-20(19)21/h3-6,11-16H,2,7-10H2,1H3.
What are the key properties of 1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene?
1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene has a molecular weight of 298.86 g/mol, XLogP of 6.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 139911116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).