2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene

C14H19ClO — CID 103165692

IUPAC2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1C(Cl)CC1CCC1
InChIInChI=1S/C14H19ClO/c1-10-6-7-14(16-2)12(8-10)13(15)9-11-4-3-5-11/h6-8,11,13H,3-5,9H2,1-2H3
InChIKeyVMTOZXUHMMQEMM-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.47
Rot. Bonds4

About 2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene

2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene (PubChem CID 103165692) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene
PubChem CID103165692
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1C(Cl)CC1CCC1
InChIInChI=1S/C14H19ClO/c1-10-6-7-14(16-2)12(8-10)13(15)9-11-4-3-5-11/h6-8,11,13H,3-5,9H2,1-2H3
InChIKeyVMTOZXUHMMQEMM-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.47
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-bromo-2-(1-chloro-2-cyclobutylethyl)-1-methoxybenzene
CID 103165554
2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene
CID 63429282
1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine
CID 82214723
1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene
CID 63429933
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145
2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene
CID 63433985
2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 114457630
N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 113348858
1-bromo-2-(1-chloro-2-cyclopentylethyl)-4,5-dimethoxybenzene
CID 63432125
1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine
CID 82214719
2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200897
2-(cyclopentylmethoxy)-1-(2-methoxy-5-methylphenyl)ethanol
CID 66324372

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene?
The IUPAC name of 2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene (CID 103165692) is 2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene is COc1ccc(C)cc1C(Cl)CC1CCC1.
What is the InChIKey of 2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene?
The InChIKey is VMTOZXUHMMQEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-10-6-7-14(16-2)12(8-10)13(15)9-11-4-3-5-11/h6-8,11,13H,3-5,9H2,1-2H3.
What are the key properties of 2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene?
2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene has a molecular weight of 238.76 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene is sourced from PubChem (CID 103165692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).