5-chloro-6-methyl-1,3-dihydro-2-benzofuran-1-ol

C9H9ClO2 — CID 167276538

IUPAC5-chloro-6-methyl-1,3-dihydro-2-benzofuran-1-ol
SMILESCc1cc2c(cc1Cl)COC2O
InChIInChI=1S/C9H9ClO2/c1-5-2-7-6(3-8(5)10)4-12-9(7)11/h2-3,9,11H,4H2,1H3
InChIKeyZKQQRNHFEJAOAF-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.17
Rot. Bonds

About 5-chloro-6-methyl-1,3-dihydro-2-benzofuran-1-ol

5-chloro-6-methyl-1,3-dihydro-2-benzofuran-1-ol (PubChem CID 167276538) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 5-chloro-6-methyl-1,3-dihydro-2-benzofuran-1-ol.

Molecular Properties

Compound Name5-chloro-6-methyl-1,3-dihydro-2-benzofuran-1-ol
PubChem CID167276538
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name5-chloro-6-methyl-1,3-dihydro-2-benzofuran-1-ol
SMILESCc1cc2c(cc1Cl)COC2O
InChIInChI=1S/C9H9ClO2/c1-5-2-7-6(3-8(5)10)4-12-9(7)11/h2-3,9,11H,4H2,1H3
InChIKeyZKQQRNHFEJAOAF-UHFFFAOYSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-6-methyl-1,3-dihydro-2-benzofuran-1-ol 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

(1R)-5-chloro-1,3-dihydro-2-benzofuran-1-ol
CID 86339091
(1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol
CID 86339090
1,5-dichloro-2,4-dimethylbenzene
CID 4174838
5-chloro-6-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 162379664
5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 165462903
5-chloro-6-methyl-2,3-dihydro-1H-isoindole;ethane
CID 156822930
2-(5-chloro-2-methoxy-4-methylphenyl)oxirane
CID 82282154
7-chloro-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55273084
3-chloro-1-[(1R)-6-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 165093425
4-chloro-5-methylbenzene-1,2-diol
CID 23510503
5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid
CID 141148713
(2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol
CID 129404909

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-1,3-dihydro-2-benzofuran-1-ol?
The IUPAC name of 5-chloro-6-methyl-1,3-dihydro-2-benzofuran-1-ol (CID 167276538) is 5-chloro-6-methyl-1,3-dihydro-2-benzofuran-1-ol.
What is the SMILES notation for 5-chloro-6-methyl-1,3-dihydro-2-benzofuran-1-ol?
The canonical SMILES for 5-chloro-6-methyl-1,3-dihydro-2-benzofuran-1-ol is Cc1cc2c(cc1Cl)COC2O.
What is the InChIKey of 5-chloro-6-methyl-1,3-dihydro-2-benzofuran-1-ol?
The InChIKey is ZKQQRNHFEJAOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-5-2-7-6(3-8(5)10)4-12-9(7)11/h2-3,9,11H,4H2,1H3.
What are the key properties of 5-chloro-6-methyl-1,3-dihydro-2-benzofuran-1-ol?
5-chloro-6-methyl-1,3-dihydro-2-benzofuran-1-ol has a molecular weight of 184.62 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-1,3-dihydro-2-benzofuran-1-ol is sourced from PubChem (CID 167276538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).