1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene

C20H23Br — CID 170842748

IUPAC1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene
SMILESCCC1CCC(c2ccc(-c3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C20H23Br/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h7-16H,2-6H2,1H3
InChIKeyOPQGYTYZUXNJFA-UHFFFAOYSA-N
MW343.31 g/mol
LogP6.80
Rot. Bonds3

About 1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene

1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene (PubChem CID 170842748) has the molecular formula C20H23Br and a molecular weight of 343.31 g/mol. Its IUPAC name is 1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene
PubChem CID170842748
Molecular FormulaC20H23Br
Molecular Weight343.31 g/mol
Exact Mass342.10
IUPAC Name1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene
SMILESCCC1CCC(c2ccc(-c3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C20H23Br/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h7-16H,2-6H2,1H3
InChIKeyOPQGYTYZUXNJFA-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.31
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15135338
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane
CID 145009719
1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 23188567
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
CID 66919211
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol
CID 139648649
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene
CID 54084592
1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene
CID 139911152

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene (CID 170842748) is 1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene is CCC1CCC(c2ccc(-c3ccc(Br)cc3)cc2)CC1.
What is the InChIKey of 1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene?
The InChIKey is OPQGYTYZUXNJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Br/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h7-16H,2-6H2,1H3.
What are the key properties of 1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene?
1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene has a molecular weight of 343.31 g/mol, XLogP of 6.80, 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)phenyl]benzene is sourced from PubChem (CID 170842748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).