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

C18H11ClO4 — CID 102407236

IUPAC3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one
SMILESCOc1ccc2oc(=O)c3c(Cl)c(-c4ccccc4)oc3c2c1
InChIInChI=1S/C18H11ClO4/c1-21-11-7-8-13-12(9-11)17-14(18(20)22-13)15(19)16(23-17)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyYVFFSQNALNEZMG-UHFFFAOYSA-N
MW326.74 g/mol
LogP4.87
Rot. Bonds2

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

3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one (PubChem CID 102407236) has the molecular formula C18H11ClO4 and a molecular weight of 326.74 g/mol. Its IUPAC name is 3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one
PubChem CID102407236
Molecular FormulaC18H11ClO4
Molecular Weight326.74 g/mol
Exact Mass326.03
IUPAC Name3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one
SMILESCOc1ccc2oc(=O)c3c(Cl)c(-c4ccccc4)oc3c2c1
InChIInChI=1S/C18H11ClO4/c1-21-11-7-8-13-12(9-11)17-14(18(20)22-13)15(19)16(23-17)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyYVFFSQNALNEZMG-UHFFFAOYSA-N
XLogP4.87
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one
CID 24905989
2-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 110272886
1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one
CID 57325894
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
7-methoxy-4-oxahexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1(14),2(11),5(10),6,8,12,15,17,19,21,23,25-dodecaen-3-one
CID 118617499
3-amino-7-methoxy-2-phenylchromen-4-one
CID 101481005
6-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
CID 7198723
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 21435398
9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 131750884
2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one
CID 177479464
1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea
CID 10925379

Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one?
The IUPAC name of 3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one (CID 102407236) is 3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one.
What is the SMILES notation for 3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one?
The canonical SMILES for 3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one is COc1ccc2oc(=O)c3c(Cl)c(-c4ccccc4)oc3c2c1.
What is the InChIKey of 3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one?
The InChIKey is YVFFSQNALNEZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClO4/c1-21-11-7-8-13-12(9-11)17-14(18(20)22-13)15(19)16(23-17)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one?
3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one has a molecular weight of 326.74 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one is sourced from PubChem (CID 102407236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).