4-bromo-1-chloro-2-[[4-(4-ethyl-4-methylcyclohexyl)phenyl]methyl]benzene

C22H26BrCl — CID 126545270

IUPAC4-bromo-1-chloro-2-[[4-(4-ethyl-4-methylcyclohexyl)phenyl]methyl]benzene
SMILESCCC1(C)CCC(c2ccc(Cc3cc(Br)ccc3Cl)cc2)CC1
InChIInChI=1S/C22H26BrCl/c1-3-22(2)12-10-18(11-13-22)17-6-4-16(5-7-17)14-19-15-20(23)8-9-21(19)24/h4-9,15,18H,3,10-14H2,1-2H3
InChIKeyBZKQKOHCEACNSX-UHFFFAOYSA-N
MW405.81 g/mol
LogP7.77
Rot. Bonds4

About 4-bromo-1-chloro-2-[[4-(4-ethyl-4-methylcyclohexyl)phenyl]methyl]benzene

4-bromo-1-chloro-2-[[4-(4-ethyl-4-methylcyclohexyl)phenyl]methyl]benzene (PubChem CID 126545270) has the molecular formula C22H26BrCl and a molecular weight of 405.81 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-[[4-(4-ethyl-4-methylcyclohexyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-[[4-(4-ethyl-4-methylcyclohexyl)phenyl]methyl]benzene
PubChem CID126545270
Molecular FormulaC22H26BrCl
Molecular Weight405.81 g/mol
Exact Mass404.09
IUPAC Name4-bromo-1-chloro-2-[[4-(4-ethyl-4-methylcyclohexyl)phenyl]methyl]benzene
SMILESCCC1(C)CCC(c2ccc(Cc3cc(Br)ccc3Cl)cc2)CC1
InChIInChI=1S/C22H26BrCl/c1-3-22(2)12-10-18(11-13-22)17-6-4-16(5-7-17)14-19-15-20(23)8-9-21(19)24/h4-9,15,18H,3,10-14H2,1-2H3
InChIKeyBZKQKOHCEACNSX-UHFFFAOYSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.81
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-bromo-1-chloro-2-[[4-(4-ethyl-4-methylcyclohexyl)phenyl]methyl]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

4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene
CID 123676769
(3S,4R,5R,6S)-6-[4-chloro-3-[(4-cyclopropylphenyl)methyl]phenyl]-2,2-dimethyloxane-3,4,5-triol
CID 67074452
5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline
CID 79983845
2,2-dibromo-1-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]cyclopropan-1-ol
CID 90920518
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 114076581
N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine
CID 103793012
4-bromo-1-chloro-2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]benzene
CID 59557755
3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol
CID 59557756
[(3R,4S,5R,6R)-3-acetyloxy-2-[4-chloro-3-[(4-spiro[2.5]octan-6-ylphenyl)methyl]phenyl]-6-ethyl-5-methyloxan-4-yl] acetate
CID 90148244
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
CID 155822080
1-bromo-4-chloro-5-[(4-cyclopropylphenyl)methyl]-3-methoxy-2-methylbenzene
CID 90086986
1-chloro-4-(3,5-dimethylcyclohexyl)-2-[(4-propylphenyl)methyl]benzene
CID 146415253

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-[[4-(4-ethyl-4-methylcyclohexyl)phenyl]methyl]benzene?
The IUPAC name of 4-bromo-1-chloro-2-[[4-(4-ethyl-4-methylcyclohexyl)phenyl]methyl]benzene (CID 126545270) is 4-bromo-1-chloro-2-[[4-(4-ethyl-4-methylcyclohexyl)phenyl]methyl]benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-[[4-(4-ethyl-4-methylcyclohexyl)phenyl]methyl]benzene?
The canonical SMILES for 4-bromo-1-chloro-2-[[4-(4-ethyl-4-methylcyclohexyl)phenyl]methyl]benzene is CCC1(C)CCC(c2ccc(Cc3cc(Br)ccc3Cl)cc2)CC1.
What is the InChIKey of 4-bromo-1-chloro-2-[[4-(4-ethyl-4-methylcyclohexyl)phenyl]methyl]benzene?
The InChIKey is BZKQKOHCEACNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrCl/c1-3-22(2)12-10-18(11-13-22)17-6-4-16(5-7-17)14-19-15-20(23)8-9-21(19)24/h4-9,15,18H,3,10-14H2,1-2H3.
What are the key properties of 4-bromo-1-chloro-2-[[4-(4-ethyl-4-methylcyclohexyl)phenyl]methyl]benzene?
4-bromo-1-chloro-2-[[4-(4-ethyl-4-methylcyclohexyl)phenyl]methyl]benzene has a molecular weight of 405.81 g/mol, XLogP of 7.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-[[4-(4-ethyl-4-methylcyclohexyl)phenyl]methyl]benzene is sourced from PubChem (CID 126545270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).