1-(1-chloro-2-methylpropyl)-4-methoxybenzene

C11H15ClO — CID 61081165

IUPAC1-(1-chloro-2-methylpropyl)-4-methoxybenzene
SMILESCOc1ccc(C(Cl)C(C)C)cc1
InChIInChI=1S/C11H15ClO/c1-8(2)11(12)9-4-6-10(13-3)7-5-9/h4-8,11H,1-3H3
InChIKeyUWHGLZIDDSOZEW-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.63
Rot. Bonds3

About 1-(1-chloro-2-methylpropyl)-4-methoxybenzene

1-(1-chloro-2-methylpropyl)-4-methoxybenzene (PubChem CID 61081165) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 1-(1-chloro-2-methylpropyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(1-chloro-2-methylpropyl)-4-methoxybenzene
PubChem CID61081165
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name1-(1-chloro-2-methylpropyl)-4-methoxybenzene
SMILESCOc1ccc(C(Cl)C(C)C)cc1
InChIInChI=1S/C11H15ClO/c1-8(2)11(12)9-4-6-10(13-3)7-5-9/h4-8,11H,1-3H3
InChIKeyUWHGLZIDDSOZEW-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(1-chloro-2-methylpropyl)-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-[chloro(methoxy)methyl]-4-methoxybenzene
CID 15657443
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
CID 13482611
chloro-(4-methoxyphenyl)methanol
CID 130923369
1-[(1S,4R)-1,4-dichloro-4-(4-methoxyphenyl)butyl]-4-methoxybenzene
CID 125465408
1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene
CID 61085205
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
1-bromo-4-(1-chloro-2-methylpropyl)benzene
CID 63428554
1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene
CID 139694053
CID 175713586
CID 175713586
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-methylazanium
CID 7574544
2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
CID 164892254

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-methylpropyl)-4-methoxybenzene?
The IUPAC name of 1-(1-chloro-2-methylpropyl)-4-methoxybenzene (CID 61081165) is 1-(1-chloro-2-methylpropyl)-4-methoxybenzene.
What is the SMILES notation for 1-(1-chloro-2-methylpropyl)-4-methoxybenzene?
The canonical SMILES for 1-(1-chloro-2-methylpropyl)-4-methoxybenzene is COc1ccc(C(Cl)C(C)C)cc1.
What is the InChIKey of 1-(1-chloro-2-methylpropyl)-4-methoxybenzene?
The InChIKey is UWHGLZIDDSOZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-8(2)11(12)9-4-6-10(13-3)7-5-9/h4-8,11H,1-3H3.
What are the key properties of 1-(1-chloro-2-methylpropyl)-4-methoxybenzene?
1-(1-chloro-2-methylpropyl)-4-methoxybenzene has a molecular weight of 198.69 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-methylpropyl)-4-methoxybenzene is sourced from PubChem (CID 61081165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).