1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene

C20H27Br — CID 141297711

IUPAC1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene
SMILESCCC1CCC(C2CC=C(c3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C20H27Br/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h9,11-17H,2-8,10H2,1H3
InChIKeyDFJHZZDFFRCBEO-UHFFFAOYSA-N
MW347.34 g/mol
LogP6.85
Rot. Bonds3

About 1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene

1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene (PubChem CID 141297711) has the molecular formula C20H27Br and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene
PubChem CID141297711
Molecular FormulaC20H27Br
Molecular Weight347.34 g/mol
Exact Mass346.13
IUPAC Name1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene
SMILESCCC1CCC(C2CC=C(c3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C20H27Br/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h9,11-17H,2-8,10H2,1H3
InChIKeyDFJHZZDFFRCBEO-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.34
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene?
The IUPAC name of 1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene (CID 141297711) is 1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene.
What is the SMILES notation for 1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene?
The canonical SMILES for 1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene is CCC1CCC(C2CC=C(c3ccc(Br)cc3)CC2)CC1.
What is the InChIKey of 1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene?
The InChIKey is DFJHZZDFFRCBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27Br/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h9,11-17H,2-8,10H2,1H3.
What are the key properties of 1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene?
1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene has a molecular weight of 347.34 g/mol, XLogP of 6.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene is sourced from PubChem (CID 141297711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).