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

C14H19Cl — CID 71050901

IUPAC1-chloro-2-[(4-methylcyclohexyl)methyl]benzene
SMILESCC1CCC(Cc2ccccc2Cl)CC1
InChIInChI=1S/C14H19Cl/c1-11-6-8-12(9-7-11)10-13-4-2-3-5-14(13)15/h2-5,11-12H,6-10H2,1H3
InChIKeyFMTRDMCFJONCEW-UHFFFAOYSA-N
MW222.76 g/mol
LogP4.71
Rot. Bonds2

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

1-chloro-2-[(4-methylcyclohexyl)methyl]benzene (PubChem CID 71050901) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is 1-chloro-2-[(4-methylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(4-methylcyclohexyl)methyl]benzene
PubChem CID71050901
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name1-chloro-2-[(4-methylcyclohexyl)methyl]benzene
SMILESCC1CCC(Cc2ccccc2Cl)CC1
InChIInChI=1S/C14H19Cl/c1-11-6-8-12(9-7-11)10-13-4-2-3-5-14(13)15/h2-5,11-12H,6-10H2,1H3
InChIKeyFMTRDMCFJONCEW-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81020551
1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium
CID 7297807
ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane
CID 142810006
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
CID 43677397
2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55185968
2-chloro-6-(cyclopropylmethyl)aniline
CID 105439830
1,2-diethylbenzene;1,4-dimethylcyclohexane
CID 142228373
2-[(2-chlorophenyl)methyl]azetidine
CID 84658268
1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene
CID 67782354
1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
CID 91321679
5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one
CID 3024925

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(4-methylcyclohexyl)methyl]benzene?
The IUPAC name of 1-chloro-2-[(4-methylcyclohexyl)methyl]benzene (CID 71050901) is 1-chloro-2-[(4-methylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1-chloro-2-[(4-methylcyclohexyl)methyl]benzene?
The canonical SMILES for 1-chloro-2-[(4-methylcyclohexyl)methyl]benzene is CC1CCC(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-chloro-2-[(4-methylcyclohexyl)methyl]benzene?
The InChIKey is FMTRDMCFJONCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl/c1-11-6-8-12(9-7-11)10-13-4-2-3-5-14(13)15/h2-5,11-12H,6-10H2,1H3.
What are the key properties of 1-chloro-2-[(4-methylcyclohexyl)methyl]benzene?
1-chloro-2-[(4-methylcyclohexyl)methyl]benzene has a molecular weight of 222.76 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(4-methylcyclohexyl)methyl]benzene is sourced from PubChem (CID 71050901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).