2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methylbenzene

C16H23ClO — CID 64735526

IUPAC2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methylbenzene
SMILESCc1ccc(OC2CC(C)CC(C)C2)c(CCl)c1
InChIInChI=1S/C16H23ClO/c1-11-4-5-16(14(7-11)10-17)18-15-8-12(2)6-13(3)9-15/h4-5,7,12-13,15H,6,8-10H2,1-3H3
InChIKeyRAQMNJCLJKDJBT-UHFFFAOYSA-N
MW266.81 g/mol
LogP4.94
Rot. Bonds3

About 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methylbenzene

2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methylbenzene (PubChem CID 64735526) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methylbenzene.

Molecular Properties

Compound Name2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methylbenzene
PubChem CID64735526
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methylbenzene
SMILESCc1ccc(OC2CC(C)CC(C)C2)c(CCl)c1
InChIInChI=1S/C16H23ClO/c1-11-4-5-16(14(7-11)10-17)18-15-8-12(2)6-13(3)9-15/h4-5,7,12-13,15H,6,8-10H2,1-3H3
InChIKeyRAQMNJCLJKDJBT-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene
CID 64735146
N-[[2-(3,5-dimethylcyclohexyl)oxy-5-methylphenyl]methyl]cyclopropanamine
CID 64736289
[2-(3,5-dimethylcyclohexyl)oxy-5-methylphenyl]boronic acid
CID 64735720
3-[2-(3,5-dimethylcyclohexyl)oxy-5-methylphenyl]prop-2-yn-1-ol
CID 64731120
4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene
CID 64748332
2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine
CID 107700340
[5-bromo-2-(3,5-dimethylcyclohexyl)oxyphenyl]methanol
CID 64735922
4-[2-(chloromethyl)-4-methylphenoxy]-1,9-dioxaspiro[5.5]undecane
CID 79900248
4-[2-(chloromethyl)-4-methylphenoxy]-1-oxaspiro[5.5]undecane
CID 79900246
2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776286
1-(chloromethyl)-4-(3,5-dimethylcyclohexyl)oxybenzene
CID 64737672
(2-cyclobutyloxy-5-methylphenyl)methanol
CID 84664151

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methylbenzene?
The IUPAC name of 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methylbenzene (CID 64735526) is 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methylbenzene.
What is the SMILES notation for 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methylbenzene?
The canonical SMILES for 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methylbenzene is Cc1ccc(OC2CC(C)CC(C)C2)c(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methylbenzene?
The InChIKey is RAQMNJCLJKDJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO/c1-11-4-5-16(14(7-11)10-17)18-15-8-12(2)6-13(3)9-15/h4-5,7,12-13,15H,6,8-10H2,1-3H3.
What are the key properties of 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methylbenzene?
2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methylbenzene has a molecular weight of 266.81 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methylbenzene is sourced from PubChem (CID 64735526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).