8-chloro-2-methyl-3-phenylfuro[3,2-c]chromen-4-one

C18H11ClO3 — CID 135031784

IUPAC8-chloro-2-methyl-3-phenylfuro[3,2-c]chromen-4-one
SMILESCc1oc2c(c1-c1ccccc1)c(=O)oc1ccc(Cl)cc12
InChIInChI=1S/C18H11ClO3/c1-10-15(11-5-3-2-4-6-11)16-17(21-10)13-9-12(19)7-8-14(13)22-18(16)20/h2-9H,1H3
InChIKeyPPSMWPKELGQWJU-UHFFFAOYSA-N
MW310.74 g/mol
LogP5.17
Rot. Bonds1

About 8-chloro-2-methyl-3-phenylfuro[3,2-c]chromen-4-one

8-chloro-2-methyl-3-phenylfuro[3,2-c]chromen-4-one (PubChem CID 135031784) has the molecular formula C18H11ClO3 and a molecular weight of 310.74 g/mol. Its IUPAC name is 8-chloro-2-methyl-3-phenylfuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name8-chloro-2-methyl-3-phenylfuro[3,2-c]chromen-4-one
PubChem CID135031784
Molecular FormulaC18H11ClO3
Molecular Weight310.74 g/mol
Exact Mass310.04
IUPAC Name8-chloro-2-methyl-3-phenylfuro[3,2-c]chromen-4-one
SMILESCc1oc2c(c1-c1ccccc1)c(=O)oc1ccc(Cl)cc12
InChIInChI=1S/C18H11ClO3/c1-10-15(11-5-3-2-4-6-11)16-17(21-10)13-9-12(19)7-8-14(13)22-18(16)20/h2-9H,1H3
InChIKeyPPSMWPKELGQWJU-UHFFFAOYSA-N
XLogP5.17
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.74
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2H-1-Benzopyran-2-one, 4-(5-chloro-2-benzofuranyl)-7-methoxy-
CID 1784236
5-(3-Chloro-4-methyl-phenyl)-4-[2-(3-chloro-4-methyl-phenyl)-2-oxo-ethyl)-2-methyl-furan-3-carboxylic acid methyl ester (3j)
CID 102401212
5-(4-Chloro-phenyl)-4[2-(4-chloro-phenyl)-2-oxo-ethyl]-2-methyl-furan-3-carboxylic acid methyl ester (3g)
CID 102401215
5-(3-Chloro-4-methyl-phenyl)-4-[2-(3-chloro-4-methyl-phenyl)-2-oxo-ethyl)-2-methyl-furan-3-carboxylic acid methyl ester (3i)
CID 102401217
6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-chlorobenzoate
CID 1754921
5-[(3-Chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 702027
Ethyl 2-(3-chlorophenyl)-5-hydroxybenzofuran-3-carboxylate
CID 134601764
Pterophyllin 2
CID 10977554
Coumestan
CID 638309
2H-1-Benzopyran-2-one, 6-chloro-4-(5-chloro-2-benzofuranyl)-
CID 1960022
Ethyl 5-chloro-1-benzofuran-3-carboxylate
CID 53342910
(2-Phenylbenzofuran-4-yl) 4-chlorobenzoate
CID 71769897

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-3-phenylfuro[3,2-c]chromen-4-one?
The IUPAC name of 8-chloro-2-methyl-3-phenylfuro[3,2-c]chromen-4-one (CID 135031784) is 8-chloro-2-methyl-3-phenylfuro[3,2-c]chromen-4-one.
What is the SMILES notation for 8-chloro-2-methyl-3-phenylfuro[3,2-c]chromen-4-one?
The canonical SMILES for 8-chloro-2-methyl-3-phenylfuro[3,2-c]chromen-4-one is Cc1oc2c(c1-c1ccccc1)c(=O)oc1ccc(Cl)cc12.
What is the InChIKey of 8-chloro-2-methyl-3-phenylfuro[3,2-c]chromen-4-one?
The InChIKey is PPSMWPKELGQWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClO3/c1-10-15(11-5-3-2-4-6-11)16-17(21-10)13-9-12(19)7-8-14(13)22-18(16)20/h2-9H,1H3.
What are the key properties of 8-chloro-2-methyl-3-phenylfuro[3,2-c]chromen-4-one?
8-chloro-2-methyl-3-phenylfuro[3,2-c]chromen-4-one has a molecular weight of 310.74 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-3-phenylfuro[3,2-c]chromen-4-one is sourced from PubChem (CID 135031784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).