1-[2-chloro-2-(2-methylcyclopropyl)ethyl]-3-methoxybenzene

C13H17ClO — CID 63017777

IUPAC1-[2-chloro-2-(2-methylcyclopropyl)ethyl]-3-methoxybenzene
SMILESCOc1cccc(CC(Cl)C2CC2C)c1
InChIInChI=1S/C13H17ClO/c1-9-6-12(9)13(14)8-10-4-3-5-11(7-10)15-2/h3-5,7,9,12-13H,6,8H2,1-2H3
InChIKeyAUPPYZJSTCPJAM-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.50
Rot. Bonds4

About 1-[2-chloro-2-(2-methylcyclopropyl)ethyl]-3-methoxybenzene

1-[2-chloro-2-(2-methylcyclopropyl)ethyl]-3-methoxybenzene (PubChem CID 63017777) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-[2-chloro-2-(2-methylcyclopropyl)ethyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[2-chloro-2-(2-methylcyclopropyl)ethyl]-3-methoxybenzene
PubChem CID63017777
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name1-[2-chloro-2-(2-methylcyclopropyl)ethyl]-3-methoxybenzene
SMILESCOc1cccc(CC(Cl)C2CC2C)c1
InChIInChI=1S/C13H17ClO/c1-9-6-12(9)13(14)8-10-4-3-5-11(7-10)15-2/h3-5,7,9,12-13H,6,8H2,1-2H3
InChIKeyAUPPYZJSTCPJAM-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.50
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

1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
2-(3-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400147
1-(2-chloro-3-methylsulfonylbutyl)-3-methoxybenzene
CID 104522131
1-(2-chloro-4-cyclopentylbutyl)-3-methoxybenzene
CID 63543691
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
2-[1-chloro-3-(3-methoxyphenyl)propan-2-yl]bicyclo[2.2.1]heptane
CID 114246950
2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 82185120
1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
CID 116766322
1-cyclobutyl-2-(3-methoxyphenyl)ethanol
CID 63017891
2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene
CID 63434678
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(2-methylcyclopropyl)ethyl]-3-methoxybenzene?
The IUPAC name of 1-[2-chloro-2-(2-methylcyclopropyl)ethyl]-3-methoxybenzene (CID 63017777) is 1-[2-chloro-2-(2-methylcyclopropyl)ethyl]-3-methoxybenzene.
What is the SMILES notation for 1-[2-chloro-2-(2-methylcyclopropyl)ethyl]-3-methoxybenzene?
The canonical SMILES for 1-[2-chloro-2-(2-methylcyclopropyl)ethyl]-3-methoxybenzene is COc1cccc(CC(Cl)C2CC2C)c1.
What is the InChIKey of 1-[2-chloro-2-(2-methylcyclopropyl)ethyl]-3-methoxybenzene?
The InChIKey is AUPPYZJSTCPJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-9-6-12(9)13(14)8-10-4-3-5-11(7-10)15-2/h3-5,7,9,12-13H,6,8H2,1-2H3.
What are the key properties of 1-[2-chloro-2-(2-methylcyclopropyl)ethyl]-3-methoxybenzene?
1-[2-chloro-2-(2-methylcyclopropyl)ethyl]-3-methoxybenzene has a molecular weight of 224.73 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(2-methylcyclopropyl)ethyl]-3-methoxybenzene is sourced from PubChem (CID 63017777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).