2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene

C16H22Cl2 — CID 21025447

IUPAC2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene
SMILESCC(C)C1CCC(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H22Cl2/c1-11(2)13-5-3-12(4-6-13)9-14-7-8-15(17)10-16(14)18/h7-8,10-13H,3-6,9H2,1-2H3
InChIKeyAVMPWIYIUUUGOD-UHFFFAOYSA-N
MW285.26 g/mol
LogP6.00
Rot. Bonds3

About 2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene

2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene (PubChem CID 21025447) has the molecular formula C16H22Cl2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene
PubChem CID21025447
Molecular FormulaC16H22Cl2
Molecular Weight285.26 g/mol
Exact Mass284.11
IUPAC Name2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene
SMILESCC(C)C1CCC(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H22Cl2/c1-11(2)13-5-3-12(4-6-13)9-14-7-8-15(17)10-16(14)18/h7-8,10-13H,3-6,9H2,1-2H3
InChIKeyAVMPWIYIUUUGOD-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.26
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)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

1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025309
1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025336
1-cyclopropyl-2-(2,4-dichlorophenyl)ethanamine
CID 62602404
1-chloro-3-[(2,4-dichlorophenyl)methyl]cycloheptane
CID 64507512
3-[(2,4-dichlorophenyl)methyl]cycloheptan-1-amine
CID 64505554
1-[(2,4-dichlorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65424709
1-[(3-bromocyclohexyl)methyl]-2,4-dichlorobenzene
CID 64508500
1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449760
2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 114854696
2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 106864992
1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81017170
2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 65029881

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene?
The IUPAC name of 2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene (CID 21025447) is 2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene is CC(C)C1CCC(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene?
The InChIKey is AVMPWIYIUUUGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2/c1-11(2)13-5-3-12(4-6-13)9-14-7-8-15(17)10-16(14)18/h7-8,10-13H,3-6,9H2,1-2H3.
What are the key properties of 2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene?
2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene has a molecular weight of 285.26 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene is sourced from PubChem (CID 21025447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).