2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene

C15H21ClO — CID 83151729

IUPAC2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1CC(C)(CCl)C1CC1
InChIInChI=1S/C15H21ClO/c1-11-4-7-14(17-3)12(8-11)9-15(2,10-16)13-5-6-13/h4,7-8,13H,5-6,9-10H2,1-3H3
InChIKeyBPYGBJZFWMLTCQ-UHFFFAOYSA-N
MW252.78 g/mol
LogP4.20
Rot. Bonds5

About 2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene

2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene (PubChem CID 83151729) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene
PubChem CID83151729
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1CC(C)(CCl)C1CC1
InChIInChI=1S/C15H21ClO/c1-11-4-7-14(17-3)12(8-11)9-15(2,10-16)13-5-6-13/h4,7-8,13H,5-6,9-10H2,1-3H3
InChIKeyBPYGBJZFWMLTCQ-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 54.20
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-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene
CID 83151167
2-cyclopropyl-N-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 83150816
3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151151
N-tert-butyl-3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-amine
CID 83150527
methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate
CID 106489483
1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 62534879
2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640
4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol
CID 63406908
3-(cyclopropylamino)-2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114900504
methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate
CID 106487848
4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol
CID 83075942
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chloro-4-methylbenzene
CID 106870728

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene?
The IUPAC name of 2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene (CID 83151729) is 2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene is COc1ccc(C)cc1CC(C)(CCl)C1CC1.
What is the InChIKey of 2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene?
The InChIKey is BPYGBJZFWMLTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c1-11-4-7-14(17-3)12(8-11)9-15(2,10-16)13-5-6-13/h4,7-8,13H,5-6,9-10H2,1-3H3.
What are the key properties of 2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene?
2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene has a molecular weight of 252.78 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene is sourced from PubChem (CID 83151729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).