1-(2-chlorocyclopropyl)-4-methoxybenzene

C10H11ClO — CID 53421606

IUPAC1-(2-chlorocyclopropyl)-4-methoxybenzene
SMILESCOc1ccc(C2CC2Cl)cc1
InChIInChI=1S/C10H11ClO/c1-12-8-4-2-7(3-5-8)9-6-10(9)11/h2-5,9-10H,6H2,1H3
InChIKeyVTVJUUMZMQXRAI-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.79
Rot. Bonds2

About 1-(2-chlorocyclopropyl)-4-methoxybenzene

1-(2-chlorocyclopropyl)-4-methoxybenzene (PubChem CID 53421606) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 1-(2-chlorocyclopropyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2-chlorocyclopropyl)-4-methoxybenzene
PubChem CID53421606
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name1-(2-chlorocyclopropyl)-4-methoxybenzene
SMILESCOc1ccc(C2CC2Cl)cc1
InChIInChI=1S/C10H11ClO/c1-12-8-4-2-7(3-5-8)9-6-10(9)11/h2-5,9-10H,6H2,1H3
InChIKeyVTVJUUMZMQXRAI-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(2-chlorocyclopropyl)-4-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
1-methoxy-4-[3-methyl-2-(4-methylphenyl)cyclobutyl]benzene
CID 132838745
[(1R)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 130347062
(1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane
CID 101158229
(1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene
CID 102014475
(1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol
CID 92993338
(2R,4S,5S)-5-chloro-2-(4-methoxyphenyl)oxan-4-ol
CID 100945534
2-[4-[(1R,2R)-2-chlorocyclopropyl]phenoxy]-2-methylpropanoic acid
CID 90662262
1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558393
2-ethyl-3-(4-methoxyphenyl)cyclobutan-1-ol
CID 81416193
1-(2-chlorocyclopropyl)-4-ethylbenzene
CID 154973164
(2S,2aS,8aR)-2-(4-methoxyphenyl)-1,2,2a,8a-tetrahydrocyclobuta[b]naphthalene-3,8-dione
CID 102247086

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorocyclopropyl)-4-methoxybenzene?
The IUPAC name of 1-(2-chlorocyclopropyl)-4-methoxybenzene (CID 53421606) is 1-(2-chlorocyclopropyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2-chlorocyclopropyl)-4-methoxybenzene?
The canonical SMILES for 1-(2-chlorocyclopropyl)-4-methoxybenzene is COc1ccc(C2CC2Cl)cc1.
What is the InChIKey of 1-(2-chlorocyclopropyl)-4-methoxybenzene?
The InChIKey is VTVJUUMZMQXRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c1-12-8-4-2-7(3-5-8)9-6-10(9)11/h2-5,9-10H,6H2,1H3.
What are the key properties of 1-(2-chlorocyclopropyl)-4-methoxybenzene?
1-(2-chlorocyclopropyl)-4-methoxybenzene has a molecular weight of 182.65 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorocyclopropyl)-4-methoxybenzene is sourced from PubChem (CID 53421606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).