3,7,8-trihydroxybenzo[c]chromen-6-one

C13H8O5 — CID 72793787

IUPAC3,7,8-trihydroxybenzo[c]chromen-6-one
SMILESO=c1oc2cc(O)ccc2c2ccc(O)c(O)c12
InChIInChI=1S/C13H8O5/c14-6-1-2-7-8-3-4-9(15)12(16)11(8)13(17)18-10(7)5-6/h1-5,14-16H
InChIKeyHAQVGVJOEBXNKU-UHFFFAOYSA-N
MW244.20 g/mol
LogP2.06
Rot. Bonds

About 3,7,8-trihydroxybenzo[c]chromen-6-one

3,7,8-trihydroxybenzo[c]chromen-6-one (PubChem CID 72793787) has the molecular formula C13H8O5 and a molecular weight of 244.20 g/mol. Its IUPAC name is 3,7,8-trihydroxybenzo[c]chromen-6-one.

Molecular Properties

Compound Name3,7,8-trihydroxybenzo[c]chromen-6-one
PubChem CID72793787
Molecular FormulaC13H8O5
Molecular Weight244.20 g/mol
Exact Mass244.04
IUPAC Name3,7,8-trihydroxybenzo[c]chromen-6-one
SMILESO=c1oc2cc(O)ccc2c2ccc(O)c(O)c12
InChIInChI=1S/C13H8O5/c14-6-1-2-7-8-3-4-9(15)12(16)11(8)13(17)18-10(7)5-6/h1-5,14-16H
InChIKeyHAQVGVJOEBXNKU-UHFFFAOYSA-N
XLogP2.06
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-7-methylbenzo[c]chromen-6-one
CID 171935919
9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one
CID 11510769
7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one
CID 171936140
3-amino-4,7-dihydroxychromen-2-one
CID 54691343
4,7-dihydroxy-2-oxochromene-3-carbaldehyde
CID 137208579
8-amino-1,2-dihydroxybenzo[c]chromen-6-one
CID 71307713
CID 153050234
CID 153050234
2-bromo-3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
CID 42600759
7-hydroxy-3,4-bis(hydroxymethyl)chromen-2-one
CID 58676736
4,7-dihydroxy-2-oxochromene-3-carboxamide
CID 54698717
7-hydroxy-3,4-dinitrochromen-2-one
CID 87998789
8-hydroxy-3-nitrosobenzo[c]chromen-6-one
CID 144622401

Frequently Asked Questions

What is the IUPAC name of 3,7,8-trihydroxybenzo[c]chromen-6-one?
The IUPAC name of 3,7,8-trihydroxybenzo[c]chromen-6-one (CID 72793787) is 3,7,8-trihydroxybenzo[c]chromen-6-one.
What is the SMILES notation for 3,7,8-trihydroxybenzo[c]chromen-6-one?
The canonical SMILES for 3,7,8-trihydroxybenzo[c]chromen-6-one is O=c1oc2cc(O)ccc2c2ccc(O)c(O)c12.
What is the InChIKey of 3,7,8-trihydroxybenzo[c]chromen-6-one?
The InChIKey is HAQVGVJOEBXNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O5/c14-6-1-2-7-8-3-4-9(15)12(16)11(8)13(17)18-10(7)5-6/h1-5,14-16H.
What are the key properties of 3,7,8-trihydroxybenzo[c]chromen-6-one?
3,7,8-trihydroxybenzo[c]chromen-6-one has a molecular weight of 244.20 g/mol, XLogP of 2.06, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,8-trihydroxybenzo[c]chromen-6-one is sourced from PubChem (CID 72793787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).