7-chloro-3'-hydroxy-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohexa-2,4-diene]-1',3-dione

C16H13ClO6 — CID 23955821

IUPAC7-chloro-3'-hydroxy-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohexa-2,4-diene]-1',3-dione
SMILESCOc1cc(OC)c2c(c1Cl)OC1(C(=O)C=C(O)C=C1C)C2=O
InChIInChI=1S/C16H13ClO6/c1-7-4-8(18)5-11(19)16(7)15(20)12-9(21-2)6-10(22-3)13(17)14(12)23-16/h4-6,18H,1-3H3
InChIKeyICZDZQIPOVIYEN-UHFFFAOYSA-N
MW336.73 g/mol
LogP2.64
Rot. Bonds2

About 7-chloro-3'-hydroxy-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohexa-2,4-diene]-1',3-dione

7-chloro-3'-hydroxy-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohexa-2,4-diene]-1',3-dione (PubChem CID 23955821) has the molecular formula C16H13ClO6 and a molecular weight of 336.73 g/mol. Its IUPAC name is 7-chloro-3'-hydroxy-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohexa-2,4-diene]-1',3-dione.

Molecular Properties

Compound Name7-chloro-3'-hydroxy-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohexa-2,4-diene]-1',3-dione
PubChem CID23955821
Molecular FormulaC16H13ClO6
Molecular Weight336.73 g/mol
Exact Mass336.04
IUPAC Name7-chloro-3'-hydroxy-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohexa-2,4-diene]-1',3-dione
SMILESCOc1cc(OC)c2c(c1Cl)OC1(C(=O)C=C(O)C=C1C)C2=O
InChIInChI=1S/C16H13ClO6/c1-7-4-8(18)5-11(19)16(7)15(20)12-9(21-2)6-10(22-3)13(17)14(12)23-16/h4-6,18H,1-3H3
InChIKeyICZDZQIPOVIYEN-UHFFFAOYSA-N
XLogP2.64
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 7-chloro-3'-hydroxy-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohexa-2,4-diene]-1',3-dione 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-3'-(dimethylamino)-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione
CID 163092582
(2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
CID 67096429
(3'R,5'S)-7-chloro-4,6-dimethoxy-3',5'-dimethylspiro[1-benzofuran-2,4'-cyclohexane]-1',3-dione
CID 14565584
(2S,5'R)-3'-amino-7-chloro-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
CID 118254070
(2R,4'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-2',5'-dimethylspiro[1-benzofuran-2,1'-cyclohexane]-3-one
CID 144564070
7-chloro-4,6-dimethoxy-5'-methyl-3'-pyrrolidin-1-ylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
CID 633724
7-chloro-3'-[2-(3,4-dihydroxyphenyl)ethylamino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione
CID 163025474
7-chloro-3'-(2-hydroxypropylamino)-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione
CID 163093153
(2S,5'R)-3'-(3-acetyl-4-hydroxyanilino)-7-chloro-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione
CID 125429632
(2S,5'R)-7-chloro-3'-[2-(3,5-dichlorophenyl)hydrazinyl]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
CID 118254211
3'-butoxy-7-chloro-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione
CID 23424321
(3'E)-7-chloro-1'-ethylsulfanyl-3'-hydroxyimino-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohexene]-3-one
CID 134090294

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3'-hydroxy-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohexa-2,4-diene]-1',3-dione?
The IUPAC name of 7-chloro-3'-hydroxy-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohexa-2,4-diene]-1',3-dione (CID 23955821) is 7-chloro-3'-hydroxy-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohexa-2,4-diene]-1',3-dione.
What is the SMILES notation for 7-chloro-3'-hydroxy-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohexa-2,4-diene]-1',3-dione?
The canonical SMILES for 7-chloro-3'-hydroxy-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohexa-2,4-diene]-1',3-dione is COc1cc(OC)c2c(c1Cl)OC1(C(=O)C=C(O)C=C1C)C2=O.
What is the InChIKey of 7-chloro-3'-hydroxy-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohexa-2,4-diene]-1',3-dione?
The InChIKey is ICZDZQIPOVIYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO6/c1-7-4-8(18)5-11(19)16(7)15(20)12-9(21-2)6-10(22-3)13(17)14(12)23-16/h4-6,18H,1-3H3.
What are the key properties of 7-chloro-3'-hydroxy-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohexa-2,4-diene]-1',3-dione?
7-chloro-3'-hydroxy-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohexa-2,4-diene]-1',3-dione has a molecular weight of 336.73 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3'-hydroxy-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohexa-2,4-diene]-1',3-dione is sourced from PubChem (CID 23955821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).