4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene

C16H23ClO — CID 82092119

IUPAC4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene
SMILESCCc1cc(C2(CCl)CCCCC2)ccc1OC
InChIInChI=1S/C16H23ClO/c1-3-13-11-14(7-8-15(13)18-2)16(12-17)9-5-4-6-10-16/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyXIGWNJBKYMDTAL-UHFFFAOYSA-N
MW266.81 g/mol
LogP4.70
Rot. Bonds4

About 4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene

4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene (PubChem CID 82092119) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene.

Molecular Properties

Compound Name4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene
PubChem CID82092119
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene
SMILESCCc1cc(C2(CCl)CCCCC2)ccc1OC
InChIInChI=1S/C16H23ClO/c1-3-13-11-14(7-8-15(13)18-2)16(12-17)9-5-4-6-10-16/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyXIGWNJBKYMDTAL-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 54.70
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

4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene
CID 82084196
1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine
CID 82281442
[4-(3-ethyl-4-methoxyphenyl)piperidin-4-yl]methanol
CID 82480668
2-ethyl-4-(1-isocyanatocyclopentyl)-1-methoxybenzene
CID 82085813
[4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
CID 82091322
4-(1-ethylcyclopentyl)-1-methoxy-2-methylbenzene
CID 143033175
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride
CID 98663701
[1-(3,4-dimethoxyphenyl)cyclopentyl]methanol
CID 13128207
1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82090827
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 62594582
4-[1-(isocyanatomethyl)cyclohexyl]-1-methoxy-2-methylbenzene
CID 82089891

Frequently Asked Questions

What is the IUPAC name of 4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene?
The IUPAC name of 4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene (CID 82092119) is 4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene.
What is the SMILES notation for 4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene?
The canonical SMILES for 4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene is CCc1cc(C2(CCl)CCCCC2)ccc1OC.
What is the InChIKey of 4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene?
The InChIKey is XIGWNJBKYMDTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO/c1-3-13-11-14(7-8-15(13)18-2)16(12-17)9-5-4-6-10-16/h7-8,11H,3-6,9-10,12H2,1-2H3.
What are the key properties of 4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene?
4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene has a molecular weight of 266.81 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene is sourced from PubChem (CID 82092119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).