7-chloro-3,4-dihydroxy-6-methoxy-3H-2-benzofuran-1-one

C9H7ClO5 — CID 52937639

IUPAC7-chloro-3,4-dihydroxy-6-methoxy-3H-2-benzofuran-1-one
SMILESCOc1cc(O)c2c(c1Cl)C(=O)OC2O
InChIInChI=1S/C9H7ClO5/c1-14-4-2-3(11)5-6(7(4)10)9(13)15-8(5)12/h2,8,11-12H,1H3
InChIKeyKPTLTAPOGXRSNT-UHFFFAOYSA-N
MW230.60 g/mol
LogP1.22
Rot. Bonds1

About 7-chloro-3,4-dihydroxy-6-methoxy-3H-2-benzofuran-1-one

7-chloro-3,4-dihydroxy-6-methoxy-3H-2-benzofuran-1-one (PubChem CID 52937639) has the molecular formula C9H7ClO5 and a molecular weight of 230.60 g/mol. Its IUPAC name is 7-chloro-3,4-dihydroxy-6-methoxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name7-chloro-3,4-dihydroxy-6-methoxy-3H-2-benzofuran-1-one
PubChem CID52937639
Molecular FormulaC9H7ClO5
Molecular Weight230.60 g/mol
Exact Mass230.00
IUPAC Name7-chloro-3,4-dihydroxy-6-methoxy-3H-2-benzofuran-1-one
SMILESCOc1cc(O)c2c(c1Cl)C(=O)OC2O
InChIInChI=1S/C9H7ClO5/c1-14-4-2-3(11)5-6(7(4)10)9(13)15-8(5)12/h2,8,11-12H,1H3
InChIKeyKPTLTAPOGXRSNT-UHFFFAOYSA-N
XLogP1.22
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.60
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-chloro-3,4-dihydroxy-6-methoxy-3H-2-benzofuran-1-one 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

(17R)-4,13,17-trihydroxy-5-methoxy-7,12-dimethyl-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-9,15-dione
CID 162941230
(3S)-3-hydroxy-4-methoxy-3H-2-benzofuran-1-one
CID 135372257
(3R,4S)-8-hydroxy-3-(hydroxymethyl)-6-methoxy-4,5-dimethyl-3,4-dihydroisochromen-1-one
CID 139590493
3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3478799
2,4-dichloro-3,5-dimethoxyphenol
CID 154103285
15-chloro-16-hydroxy-18-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),10,14,16-tetraene-2,7,12-trione
CID 78088468
8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one
CID 15677559
4,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one
CID 82544278
4-chloro-5-methoxybenzene-1,3-diol
CID 130033872
3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol
CID 117437042
3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde
CID 12652203
(3S)-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 10493415

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,4-dihydroxy-6-methoxy-3H-2-benzofuran-1-one?
The IUPAC name of 7-chloro-3,4-dihydroxy-6-methoxy-3H-2-benzofuran-1-one (CID 52937639) is 7-chloro-3,4-dihydroxy-6-methoxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 7-chloro-3,4-dihydroxy-6-methoxy-3H-2-benzofuran-1-one?
The canonical SMILES for 7-chloro-3,4-dihydroxy-6-methoxy-3H-2-benzofuran-1-one is COc1cc(O)c2c(c1Cl)C(=O)OC2O.
What is the InChIKey of 7-chloro-3,4-dihydroxy-6-methoxy-3H-2-benzofuran-1-one?
The InChIKey is KPTLTAPOGXRSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO5/c1-14-4-2-3(11)5-6(7(4)10)9(13)15-8(5)12/h2,8,11-12H,1H3.
What are the key properties of 7-chloro-3,4-dihydroxy-6-methoxy-3H-2-benzofuran-1-one?
7-chloro-3,4-dihydroxy-6-methoxy-3H-2-benzofuran-1-one has a molecular weight of 230.60 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,4-dihydroxy-6-methoxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 52937639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).