2-chloro-8,9-dimethoxybenzo[c]chromen-6-one

C15H11ClO4 — CID 164686324

IUPAC2-chloro-8,9-dimethoxybenzo[c]chromen-6-one
SMILESCOc1cc2c(=O)oc3ccc(Cl)cc3c2cc1OC
InChIInChI=1S/C15H11ClO4/c1-18-13-6-9-10-5-8(16)3-4-12(10)20-15(17)11(9)7-14(13)19-2/h3-7H,1-2H3
InChIKeyWQWCXIFWWBOHGN-UHFFFAOYSA-N
MW290.70 g/mol
LogP3.62
Rot. Bonds2

About 2-chloro-8,9-dimethoxybenzo[c]chromen-6-one

2-chloro-8,9-dimethoxybenzo[c]chromen-6-one (PubChem CID 164686324) has the molecular formula C15H11ClO4 and a molecular weight of 290.70 g/mol. Its IUPAC name is 2-chloro-8,9-dimethoxybenzo[c]chromen-6-one.

Molecular Properties

Compound Name2-chloro-8,9-dimethoxybenzo[c]chromen-6-one
PubChem CID164686324
Molecular FormulaC15H11ClO4
Molecular Weight290.70 g/mol
Exact Mass290.03
IUPAC Name2-chloro-8,9-dimethoxybenzo[c]chromen-6-one
SMILESCOc1cc2c(=O)oc3ccc(Cl)cc3c2cc1OC
InChIInChI=1S/C15H11ClO4/c1-18-13-6-9-10-5-8(16)3-4-12(10)20-15(17)11(9)7-14(13)19-2/h3-7H,1-2H3
InChIKeyWQWCXIFWWBOHGN-UHFFFAOYSA-N
XLogP3.62
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-chloro-2-methylbenzo[c]chromen-6-one
CID 10490538
3-chloro-8-methoxybenzo[c]chromen-6-one
CID 164598037
ethyl 6-chloro-4-(3,4-dimethoxyphenyl)-2-oxochromene-3-carboxylate
CID 19105287
2-chloro-8-methylsulfanyldibenzofuran
CID 71336672
methyl 2-acetamido-3-(8,9-dimethoxy-6-oxobenzo[c]chromen-2-yl)propanoate
CID 11133103
3-chloro-5-methoxychromen-2-one
CID 165356903
6-chloro-2-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methoxy]chromen-4-one
CID 21000610
methyl 2,2-bis(6-chloro-4-hydroxy-2-oxochromen-3-yl)acetate
CID 54678009
6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one
CID 21000612
10-methoxy-2-methylnaphtho[2,3-c]chromen-6-one
CID 15262080
dimethyl 7-chloro-9-oxoxanthene-2,3-dicarboxylate
CID 10688963
(1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7734746

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8,9-dimethoxybenzo[c]chromen-6-one?
The IUPAC name of 2-chloro-8,9-dimethoxybenzo[c]chromen-6-one (CID 164686324) is 2-chloro-8,9-dimethoxybenzo[c]chromen-6-one.
What is the SMILES notation for 2-chloro-8,9-dimethoxybenzo[c]chromen-6-one?
The canonical SMILES for 2-chloro-8,9-dimethoxybenzo[c]chromen-6-one is COc1cc2c(=O)oc3ccc(Cl)cc3c2cc1OC.
What is the InChIKey of 2-chloro-8,9-dimethoxybenzo[c]chromen-6-one?
The InChIKey is WQWCXIFWWBOHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO4/c1-18-13-6-9-10-5-8(16)3-4-12(10)20-15(17)11(9)7-14(13)19-2/h3-7H,1-2H3.
What are the key properties of 2-chloro-8,9-dimethoxybenzo[c]chromen-6-one?
2-chloro-8,9-dimethoxybenzo[c]chromen-6-one has a molecular weight of 290.70 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8,9-dimethoxybenzo[c]chromen-6-one is sourced from PubChem (CID 164686324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).