1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene

C16H22Cl2 — CID 21025336

IUPAC1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene
SMILESCC(C)C1CCC(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H22Cl2/c1-11(2)13-8-6-12(7-9-13)10-14-15(17)4-3-5-16(14)18/h3-5,11-13H,6-10H2,1-2H3
InChIKeyYHRXUTRBXDECMW-UHFFFAOYSA-N
MW285.26 g/mol
LogP6.00
Rot. Bonds3

About 1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene

1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene (PubChem CID 21025336) has the molecular formula C16H22Cl2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene
PubChem CID21025336
Molecular FormulaC16H22Cl2
Molecular Weight285.26 g/mol
Exact Mass284.11
IUPAC Name1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene
SMILESCC(C)C1CCC(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H22Cl2/c1-11(2)13-8-6-12(7-9-13)10-14-15(17)4-3-5-16(14)18/h3-5,11-13H,6-10H2,1-2H3
InChIKeyYHRXUTRBXDECMW-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

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Related Compounds

4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
CID 71165661
1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene
CID 55191506
2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65423546
1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025309
2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 102857380
2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025447
3-[(2,6-dichlorophenyl)methyl]azetidine
CID 16780191
2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine
CID 112693518
1-chloro-3-[(2,6-dichlorophenyl)methyl]cycloheptane
CID 64509532
1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 64906804
1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol
CID 103456938
1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
CID 103503885

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene?
The IUPAC name of 1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene (CID 21025336) is 1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene is CC(C)C1CCC(Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene?
The InChIKey is YHRXUTRBXDECMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2/c1-11(2)13-8-6-12(7-9-13)10-14-15(17)4-3-5-16(14)18/h3-5,11-13H,6-10H2,1-2H3.
What are the key properties of 1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene?
1,3-dichloro-2-[(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 1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene is sourced from PubChem (CID 21025336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).