4,5-dihydroxy-2-oxochromene-3-carbonyl chloride

C10H5ClO5 — CID 54728310

IUPAC4,5-dihydroxy-2-oxochromene-3-carbonyl chloride
SMILESO=C(Cl)c1c(O)c2c(O)cccc2oc1=O
InChIInChI=1S/C10H5ClO5/c11-9(14)7-8(13)6-4(12)2-1-3-5(6)16-10(7)15/h1-3,12-13H
InChIKeyASVYJJZAIKCESH-UHFFFAOYSA-N
MW240.60 g/mol
LogP1.58
Rot. Bonds1

About 4,5-dihydroxy-2-oxochromene-3-carbonyl chloride

4,5-dihydroxy-2-oxochromene-3-carbonyl chloride (PubChem CID 54728310) has the molecular formula C10H5ClO5 and a molecular weight of 240.60 g/mol. Its IUPAC name is 4,5-dihydroxy-2-oxochromene-3-carbonyl chloride.

Molecular Properties

Compound Name4,5-dihydroxy-2-oxochromene-3-carbonyl chloride
PubChem CID54728310
Molecular FormulaC10H5ClO5
Molecular Weight240.60 g/mol
Exact Mass239.98
IUPAC Name4,5-dihydroxy-2-oxochromene-3-carbonyl chloride
SMILESO=C(Cl)c1c(O)c2c(O)cccc2oc1=O
InChIInChI=1S/C10H5ClO5/c11-9(14)7-8(13)6-4(12)2-1-3-5(6)16-10(7)15/h1-3,12-13H
InChIKeyASVYJJZAIKCESH-UHFFFAOYSA-N
XLogP1.58
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.60
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-acetyloxy-5-hydroxy-2-oxochromen-4-yl) acetate
CID 19928858
1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 5383016
4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide
CID 102329972
(5-hydroxy-2-oxo-4-propan-2-yloxychromen-3-yl) acetate
CID 19930143
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 5393154
N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54698718
6-oxobenzo[c]chromene-10-carboxylate
CID 7345130
5-hydroxy-4-oxochromene-2-carboxamide
CID 22924487
methyl 4-hydroxy-5-[(4-methylphenyl)methoxy]-2-oxochromene-3-carboxylate
CID 87431837
3-hex-3-enoxy-4,5-dihydroxychromen-2-one
CID 54735998
5-hydroxy-2-oxochromene-3-carboxylic acid
CID 91664855

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-2-oxochromene-3-carbonyl chloride?
The IUPAC name of 4,5-dihydroxy-2-oxochromene-3-carbonyl chloride (CID 54728310) is 4,5-dihydroxy-2-oxochromene-3-carbonyl chloride.
What is the SMILES notation for 4,5-dihydroxy-2-oxochromene-3-carbonyl chloride?
The canonical SMILES for 4,5-dihydroxy-2-oxochromene-3-carbonyl chloride is O=C(Cl)c1c(O)c2c(O)cccc2oc1=O.
What is the InChIKey of 4,5-dihydroxy-2-oxochromene-3-carbonyl chloride?
The InChIKey is ASVYJJZAIKCESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClO5/c11-9(14)7-8(13)6-4(12)2-1-3-5(6)16-10(7)15/h1-3,12-13H.
What are the key properties of 4,5-dihydroxy-2-oxochromene-3-carbonyl chloride?
4,5-dihydroxy-2-oxochromene-3-carbonyl chloride has a molecular weight of 240.60 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-2-oxochromene-3-carbonyl chloride is sourced from PubChem (CID 54728310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).