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

C16H23ClO2 — CID 64735146

IUPAC2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene
SMILESCOc1ccc(OC2CC(C)CC(C)C2)c(CCl)c1
InChIInChI=1S/C16H23ClO2/c1-11-6-12(2)8-15(7-11)19-16-5-4-14(18-3)9-13(16)10-17/h4-5,9,11-12,15H,6-8,10H2,1-3H3
InChIKeyBPVJWBHGPHQUJZ-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.64
Rot. Bonds4

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

2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene (PubChem CID 64735146) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene.

Molecular Properties

Compound Name2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene
PubChem CID64735146
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene
SMILESCOc1ccc(OC2CC(C)CC(C)C2)c(CCl)c1
InChIInChI=1S/C16H23ClO2/c1-11-6-12(2)8-15(7-11)19-16-5-4-14(18-3)9-13(16)10-17/h4-5,9,11-12,15H,6-8,10H2,1-3H3
InChIKeyBPVJWBHGPHQUJZ-UHFFFAOYSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane
CID 114245608
1-(chloromethyl)-4-(3,5-dimethylcyclohexyl)oxybenzene
CID 64737672
9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane
CID 79899956
1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64748456
N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64723792
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene
CID 64748332
2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene
CID 114191425
N-[[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 64748656
2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792
[3-(3,5-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol
CID 64734954

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene?
The IUPAC name of 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene (CID 64735146) is 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene.
What is the SMILES notation for 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene?
The canonical SMILES for 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene is COc1ccc(OC2CC(C)CC(C)C2)c(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene?
The InChIKey is BPVJWBHGPHQUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-11-6-12(2)8-15(7-11)19-16-5-4-14(18-3)9-13(16)10-17/h4-5,9,11-12,15H,6-8,10H2,1-3H3.
What are the key properties of 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene?
2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene has a molecular weight of 282.81 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene is sourced from PubChem (CID 64735146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).