4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene

C17H25ClO2 — CID 63863238

IUPAC4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene
SMILESCCOc1cc(CCl)ccc1OC1CCCCC1CC
InChIInChI=1S/C17H25ClO2/c1-3-14-7-5-6-8-15(14)20-16-10-9-13(12-18)11-17(16)19-4-2/h9-11,14-15H,3-8,12H2,1-2H3
InChIKeyZOUUJNAYMLNOOG-UHFFFAOYSA-N
MW296.84 g/mol
LogP5.17
Rot. Bonds6

About 4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene

4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene (PubChem CID 63863238) has the molecular formula C17H25ClO2 and a molecular weight of 296.84 g/mol. Its IUPAC name is 4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene
PubChem CID63863238
Molecular FormulaC17H25ClO2
Molecular Weight296.84 g/mol
Exact Mass296.15
IUPAC Name4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene
SMILESCCOc1cc(CCl)ccc1OC1CCCCC1CC
InChIInChI=1S/C17H25ClO2/c1-3-14-7-5-6-8-15(14)20-16-10-9-13(12-18)11-17(16)19-4-2/h9-11,14-15H,3-8,12H2,1-2H3
InChIKeyZOUUJNAYMLNOOG-UHFFFAOYSA-N
XLogP5.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.84
LogP ≤ 55.17
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-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene
CID 55252184
1-bromo-5-(chloromethyl)-3-ethoxy-2-(2-ethylcyclohexyl)oxybenzene
CID 63862164
4-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-1-nitrobenzene
CID 63862690
4-(chloromethyl)-1,2-diethoxybenzene
CID 2434831
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 60883957
5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine
CID 81234870
2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline
CID 63446436
1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine
CID 63863292
2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]cyclopentan-1-ol
CID 60882214
4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid
CID 63862114
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
CID 22456846
1-ethyl-4-(2-ethylcyclohexyl)oxybenzene
CID 64764923

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene?
The IUPAC name of 4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene (CID 63863238) is 4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene.
What is the SMILES notation for 4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene?
The canonical SMILES for 4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene is CCOc1cc(CCl)ccc1OC1CCCCC1CC.
What is the InChIKey of 4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene?
The InChIKey is ZOUUJNAYMLNOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO2/c1-3-14-7-5-6-8-15(14)20-16-10-9-13(12-18)11-17(16)19-4-2/h9-11,14-15H,3-8,12H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene?
4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene has a molecular weight of 296.84 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene is sourced from PubChem (CID 63863238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).