1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone

C12H13ClO3 — CID 83898955

IUPAC1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone
SMILESCOc1c(C(C)=O)cc(Cl)c2c1OC(C)C2
InChIInChI=1S/C12H13ClO3/c1-6-4-9-10(13)5-8(7(2)14)11(15-3)12(9)16-6/h5-6H,4H2,1-3H3
InChIKeyUNMSFTNABWVCFZ-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.87
Rot. Bonds2

About 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone

1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone (PubChem CID 83898955) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone
PubChem CID83898955
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone
SMILESCOc1c(C(C)=O)cc(Cl)c2c1OC(C)C2
InChIInChI=1S/C12H13ClO3/c1-6-4-9-10(13)5-8(7(2)14)11(15-3)12(9)16-6/h5-6H,4H2,1-3H3
InChIKeyUNMSFTNABWVCFZ-UHFFFAOYSA-N
XLogP2.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone 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

(3R)-5-chloro-8-methoxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid
CID 71561208
1-(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 117458829
1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone
CID 83885925
4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid
CID 117414815
4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 139656076
3-(3-acetyl-5-chloro-2-methoxy-6-methylphenyl)cyclobutane-1,2-dione
CID 142719848
4-acetyl-6-chloro-2,3-dimethoxybenzaldehyde
CID 84703434
1-[3-(azetidin-3-yl)-4,5-dichloro-2-methoxyphenyl]ethanone
CID 89422199
2-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid
CID 117472042
3-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid
CID 117471999
1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83903503
1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 83882744

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone?
The IUPAC name of 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone (CID 83898955) is 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone?
The canonical SMILES for 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone is COc1c(C(C)=O)cc(Cl)c2c1OC(C)C2.
What is the InChIKey of 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone?
The InChIKey is UNMSFTNABWVCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO3/c1-6-4-9-10(13)5-8(7(2)14)11(15-3)12(9)16-6/h5-6H,4H2,1-3H3.
What are the key properties of 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone?
1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone has a molecular weight of 240.69 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone is sourced from PubChem (CID 83898955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).