4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene

C16H23ClO2 — CID 64749126

IUPAC4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene
SMILESCCC1CCC(Oc2cc(CCl)ccc2OC)CC1
InChIInChI=1S/C16H23ClO2/c1-3-12-4-7-14(8-5-12)19-16-10-13(11-17)6-9-15(16)18-2/h6,9-10,12,14H,3-5,7-8,11H2,1-2H3
InChIKeyFMCWHODMJNZUSJ-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.78
Rot. Bonds5

About 4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene

4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene (PubChem CID 64749126) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene
PubChem CID64749126
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene
SMILESCCC1CCC(Oc2cc(CCl)ccc2OC)CC1
InChIInChI=1S/C16H23ClO2/c1-3-12-4-7-14(8-5-12)19-16-10-13(11-17)6-9-15(16)18-2/h6,9-10,12,14H,3-5,7-8,11H2,1-2H3
InChIKeyFMCWHODMJNZUSJ-UHFFFAOYSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.78
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

N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine
CID 64749835
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
CID 22456846
1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
CID 64776692
4-(chloromethyl)-1-cyclopropyloxy-2-methylbenzene
CID 130057373
2-(3-cyclopropyloxy-4-methoxyphenyl)ethanol
CID 117297599
4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene
CID 64748536
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 64748077
2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene
CID 158580176
[4-methoxy-3-(thian-4-yloxy)phenyl]methanamine
CID 115005336
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene?
The IUPAC name of 4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene (CID 64749126) is 4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene.
What is the SMILES notation for 4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene?
The canonical SMILES for 4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene is CCC1CCC(Oc2cc(CCl)ccc2OC)CC1.
What is the InChIKey of 4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene?
The InChIKey is FMCWHODMJNZUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-3-12-4-7-14(8-5-12)19-16-10-13(11-17)6-9-15(16)18-2/h6,9-10,12,14H,3-5,7-8,11H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene?
4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene has a molecular weight of 282.81 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene is sourced from PubChem (CID 64749126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).