2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene

C19H29Cl — CID 63471293

IUPAC2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(CC2CC(C(C)C)CCC2Cl)c(C)c1
InChIInChI=1S/C19H29Cl/c1-12(2)16-6-7-19(20)17(10-16)11-18-14(4)8-13(3)9-15(18)5/h8-9,12,16-17,19H,6-7,10-11H2,1-5H3
InChIKeyYGIGWNWGIXZOSL-UHFFFAOYSA-N
MW292.89 g/mol
LogP5.83
Rot. Bonds3

About 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene

2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene (PubChem CID 63471293) has the molecular formula C19H29Cl and a molecular weight of 292.89 g/mol. Its IUPAC name is 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene
PubChem CID63471293
Molecular FormulaC19H29Cl
Molecular Weight292.89 g/mol
Exact Mass292.20
IUPAC Name2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(CC2CC(C(C)C)CCC2Cl)c(C)c1
InChIInChI=1S/C19H29Cl/c1-12(2)16-6-7-19(20)17(10-16)11-18-14(4)8-13(3)9-15(18)5/h8-9,12,16-17,19H,6-7,10-11H2,1-5H3
InChIKeyYGIGWNWGIXZOSL-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.89
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene
CID 55191506
2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,4-difluorobenzene
CID 63472251
3-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]thiophene
CID 63472632
2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-4-methoxy-3,5-dimethylpyridine
CID 63471290
1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene
CID 55191885
N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 81017122
1-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-2-nitrobenzene
CID 63470537
N-methyl-1-[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methanamine
CID 81017073
3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene
CID 63471491
2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 106864992
[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 81012364
2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]bicyclo[2.2.1]heptane
CID 79561514

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene (CID 63471293) is 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene is Cc1cc(C)c(CC2CC(C(C)C)CCC2Cl)c(C)c1.
What is the InChIKey of 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene?
The InChIKey is YGIGWNWGIXZOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29Cl/c1-12(2)16-6-7-19(20)17(10-16)11-18-14(4)8-13(3)9-15(18)5/h8-9,12,16-17,19H,6-7,10-11H2,1-5H3.
What are the key properties of 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene?
2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene has a molecular weight of 292.89 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 63471293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).