2,6-dichloro-3-methyl-1-benzofuran

C9H6Cl2O — CID 151191447

IUPAC2,6-dichloro-3-methyl-1-benzofuran
SMILESCc1c(Cl)oc2cc(Cl)ccc12
InChIInChI=1S/C9H6Cl2O/c1-5-7-3-2-6(10)4-8(7)12-9(5)11/h2-4H,1H3
InChIKeyNGJZTMJQWOEXIM-UHFFFAOYSA-N
MW201.05 g/mol
LogP4.05
Rot. Bonds

About 2,6-dichloro-3-methyl-1-benzofuran

2,6-dichloro-3-methyl-1-benzofuran (PubChem CID 151191447) has the molecular formula C9H6Cl2O and a molecular weight of 201.05 g/mol. Its IUPAC name is 2,6-dichloro-3-methyl-1-benzofuran.

Molecular Properties

Compound Name2,6-dichloro-3-methyl-1-benzofuran
PubChem CID151191447
Molecular FormulaC9H6Cl2O
Molecular Weight201.05 g/mol
Exact Mass199.98
IUPAC Name2,6-dichloro-3-methyl-1-benzofuran
SMILESCc1c(Cl)oc2cc(Cl)ccc12
InChIInChI=1S/C9H6Cl2O/c1-5-7-3-2-6(10)4-8(7)12-9(5)11/h2-4H,1H3
InChIKeyNGJZTMJQWOEXIM-UHFFFAOYSA-N
XLogP4.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,6-dichloro-3-methyl-1-benzofuran 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

7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 167289365
7-chloro-2,3-dimethylbenzo[f][1]benzofuran
CID 176753775
19-chloro-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 89348305
3-(4-bromophenyl)-7-chlorodibenzofuran
CID 155763681
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine
CID 102949457
2,6-dichloro-1,3-dimethylindole
CID 117127818
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
3-tert-butyl-6-chloro-1-benzofuran-2-carboxylic acid
CID 178121475
3-chloro-8-methoxybenzo[c]chromen-6-one
CID 164598037
ethyl 6-chloro-3-iodo-1-benzofuran-2-carboxylate
CID 168780929
3-(4-chloro-2-methoxyphenyl)-7-methoxy-4-methylchromen-2-one
CID 118183882
7-chloro-2-phenyldibenzofuran
CID 146877075

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-methyl-1-benzofuran?
The IUPAC name of 2,6-dichloro-3-methyl-1-benzofuran (CID 151191447) is 2,6-dichloro-3-methyl-1-benzofuran.
What is the SMILES notation for 2,6-dichloro-3-methyl-1-benzofuran?
The canonical SMILES for 2,6-dichloro-3-methyl-1-benzofuran is Cc1c(Cl)oc2cc(Cl)ccc12.
What is the InChIKey of 2,6-dichloro-3-methyl-1-benzofuran?
The InChIKey is NGJZTMJQWOEXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2O/c1-5-7-3-2-6(10)4-8(7)12-9(5)11/h2-4H,1H3.
What are the key properties of 2,6-dichloro-3-methyl-1-benzofuran?
2,6-dichloro-3-methyl-1-benzofuran has a molecular weight of 201.05 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-methyl-1-benzofuran is sourced from PubChem (CID 151191447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).