2-(1-chloroethyl)-1,3-dimethoxybenzene

C10H13ClO2 — CID 130480511

IUPAC2-(1-chloroethyl)-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1C(C)Cl
InChIInChI=1S/C10H13ClO2/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h4-7H,1-3H3
InChIKeyCONHAPUBCXJTLN-UHFFFAOYSA-N
MW200.66 g/mol
LogP3.00
Rot. Bonds3

About 2-(1-chloroethyl)-1,3-dimethoxybenzene

2-(1-chloroethyl)-1,3-dimethoxybenzene (PubChem CID 130480511) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-(1-chloroethyl)-1,3-dimethoxybenzene
PubChem CID130480511
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name2-(1-chloroethyl)-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1C(C)Cl
InChIInChI=1S/C10H13ClO2/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h4-7H,1-3H3
InChIKeyCONHAPUBCXJTLN-UHFFFAOYSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-chloroethyl)-1,3-dimethoxybenzene 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

2-(2,6-dimethoxyphenyl)-3-methylbutanoic acid
CID 116810992
bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane
CID 142028900
(1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine
CID 130848215
2-chloro-1-[2-(difluoromethyl)-3-methoxyphenyl]propan-1-one
CID 134619518
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171201173
1-bromo-2-(1-fluoroethyl)-3-methoxybenzene
CID 84696327
1-(3-chlorobutan-2-yl)-2-methoxybenzene
CID 66470656
2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
CID 84681417
1-chloro-1-(2-methoxy-6-methylphenyl)propan-2-one
CID 130839901
2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61085421
4-chloro-4-(2-chloro-6-methoxyphenyl)butanoic acid
CID 103440294

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1,3-dimethoxybenzene?
The IUPAC name of 2-(1-chloroethyl)-1,3-dimethoxybenzene (CID 130480511) is 2-(1-chloroethyl)-1,3-dimethoxybenzene.
What is the SMILES notation for 2-(1-chloroethyl)-1,3-dimethoxybenzene?
The canonical SMILES for 2-(1-chloroethyl)-1,3-dimethoxybenzene is COc1cccc(OC)c1C(C)Cl.
What is the InChIKey of 2-(1-chloroethyl)-1,3-dimethoxybenzene?
The InChIKey is CONHAPUBCXJTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h4-7H,1-3H3.
What are the key properties of 2-(1-chloroethyl)-1,3-dimethoxybenzene?
2-(1-chloroethyl)-1,3-dimethoxybenzene has a molecular weight of 200.66 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1,3-dimethoxybenzene is sourced from PubChem (CID 130480511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).