1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene

C16H23ClO2 — CID 114191426

IUPAC1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene
SMILESCOc1cccc(CCl)c1OCCC1CCCCC1
InChIInChI=1S/C16H23ClO2/c1-18-15-9-5-8-14(12-17)16(15)19-11-10-13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-12H2,1H3
InChIKeyZBISWCSOBHKWSJ-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.78
Rot. Bonds6

About 1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene

1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene (PubChem CID 114191426) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene
PubChem CID114191426
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene
SMILESCOc1cccc(CCl)c1OCCC1CCCCC1
InChIInChI=1S/C16H23ClO2/c1-18-15-9-5-8-14(12-17)16(15)19-11-10-13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-12H2,1H3
InChIKeyZBISWCSOBHKWSJ-UHFFFAOYSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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

[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine
CID 54793715
1-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65458078
[2-(chloromethyl)-6-methoxyphenoxy]cycloheptane
CID 82927927
1-(2-cyclohexylethyl)-2,3-dimethoxybenzene
CID 140989777
1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene
CID 80695590
2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene
CID 114191425
2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene
CID 114191447
1-(chloromethyl)-3-methoxy-2-nonoxybenzene
CID 43471649
1-(chloromethyl)-2-decoxy-3-methoxybenzene
CID 63535867
1-(chloromethyl)-3-methoxy-2-(2-propan-2-yloxyethoxy)benzene
CID 54957914
3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine
CID 62356017
1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene
CID 65457606

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene?
The IUPAC name of 1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene (CID 114191426) is 1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene.
What is the SMILES notation for 1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene?
The canonical SMILES for 1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene is COc1cccc(CCl)c1OCCC1CCCCC1.
What is the InChIKey of 1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene?
The InChIKey is ZBISWCSOBHKWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-18-15-9-5-8-14(12-17)16(15)19-11-10-13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-12H2,1H3.
What are the key properties of 1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene?
1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene has a molecular weight of 282.81 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene is sourced from PubChem (CID 114191426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).