4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one

C14H9ClO4 — CID 171936003

IUPAC4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one
SMILESCOc1ccc2c(=O)oc3c(Cl)c(O)ccc3c2c1
InChIInChI=1S/C14H9ClO4/c1-18-7-2-3-9-10(6-7)8-4-5-11(16)12(15)13(8)19-14(9)17/h2-6,16H,1H3
InChIKeyDDVGCVCBFLTKPQ-UHFFFAOYSA-N
MW276.68 g/mol
LogP3.31
Rot. Bonds1

About 4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one

4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one (PubChem CID 171936003) has the molecular formula C14H9ClO4 and a molecular weight of 276.68 g/mol. Its IUPAC name is 4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one.

Molecular Properties

Compound Name4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one
PubChem CID171936003
Molecular FormulaC14H9ClO4
Molecular Weight276.68 g/mol
Exact Mass276.02
IUPAC Name4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one
SMILESCOc1ccc2c(=O)oc3c(Cl)c(O)ccc3c2c1
InChIInChI=1S/C14H9ClO4/c1-18-7-2-3-9-10(6-7)8-4-5-11(16)12(15)13(8)19-14(9)17/h2-6,16H,1H3
InChIKeyDDVGCVCBFLTKPQ-UHFFFAOYSA-N
XLogP3.31
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 53.31
H-Bond Donors ≤ 51
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

1,2,4-trihydroxy-9-methoxybenzo[c]chromen-6-one
CID 171936005
1-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one
CID 171936004
3-chloro-8-methoxybenzo[c]chromen-6-one
CID 164598037
1,4-dihydroxy-7-methoxyxanthen-9-one
CID 15819467
methyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate
CID 631298
2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one
CID 167583154
1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one
CID 57325894
3-hydroxy-9-methoxy-1-propan-2-ylbenzo[c]chromen-6-one
CID 171936010
9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 131750884
11-chloro-1-hydroxy-12-methoxynaphtho[1,2-c]isochromen-6-one
CID 146018204
(2S)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
CID 704611
3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one
CID 155119057

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one?
The IUPAC name of 4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one (CID 171936003) is 4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one.
What is the SMILES notation for 4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one?
The canonical SMILES for 4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one is COc1ccc2c(=O)oc3c(Cl)c(O)ccc3c2c1.
What is the InChIKey of 4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one?
The InChIKey is DDVGCVCBFLTKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO4/c1-18-7-2-3-9-10(6-7)8-4-5-11(16)12(15)13(8)19-14(9)17/h2-6,16H,1H3.
What are the key properties of 4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one?
4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one has a molecular weight of 276.68 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one is sourced from PubChem (CID 171936003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).