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

C16H22Cl2 — CID 21025309

IUPAC1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene
SMILESCC(C)C1CCC(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H22Cl2/c1-11(2)14-6-3-12(4-7-14)9-13-5-8-15(17)16(18)10-13/h5,8,10-12,14H,3-4,6-7,9H2,1-2H3
InChIKeyCOGVMCLKKSUMQD-UHFFFAOYSA-N
MW285.26 g/mol
LogP6.00
Rot. Bonds3

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

1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene (PubChem CID 21025309) has the molecular formula C16H22Cl2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene
PubChem CID21025309
Molecular FormulaC16H22Cl2
Molecular Weight285.26 g/mol
Exact Mass284.11
IUPAC Name1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene
SMILESCC(C)C1CCC(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H22Cl2/c1-11(2)14-6-3-12(4-7-14)9-13-5-8-15(17)16(18)10-13/h5,8,10-12,14H,3-4,6-7,9H2,1-2H3
InChIKeyCOGVMCLKKSUMQD-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-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 83262000
2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401107
4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-one
CID 10848723
1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025336
8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane
CID 10756681
2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025447
2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823
4-[(3,4-dichlorophenyl)methyl]azepane
CID 83261164
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424347
1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol
CID 63519665
1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63527651

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene?
The IUPAC name of 1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene (CID 21025309) is 1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene is CC(C)C1CCC(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene?
The InChIKey is COGVMCLKKSUMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2/c1-11(2)14-6-3-12(4-7-14)9-13-5-8-15(17)16(18)10-13/h5,8,10-12,14H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene?
1,2-dichloro-4-[(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 1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene is sourced from PubChem (CID 21025309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).