4,8,10-trihydroxy-5-methylbenzo[h]chromen-2-one

C14H10O5 — CID 54692973

IUPAC4,8,10-trihydroxy-5-methylbenzo[h]chromen-2-one
SMILESCc1cc2cc(O)cc(O)c2c2oc(=O)cc(O)c12
InChIInChI=1S/C14H10O5/c1-6-2-7-3-8(15)4-9(16)13(7)14-12(6)10(17)5-11(18)19-14/h2-5,15-17H,1H3
InChIKeyURYCWSZWYNTGEX-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.37
Rot. Bonds

About 4,8,10-trihydroxy-5-methylbenzo[h]chromen-2-one

4,8,10-trihydroxy-5-methylbenzo[h]chromen-2-one (PubChem CID 54692973) has the molecular formula C14H10O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is 4,8,10-trihydroxy-5-methylbenzo[h]chromen-2-one.

Molecular Properties

Compound Name4,8,10-trihydroxy-5-methylbenzo[h]chromen-2-one
PubChem CID54692973
Molecular FormulaC14H10O5
Molecular Weight258.23 g/mol
Exact Mass258.05
IUPAC Name4,8,10-trihydroxy-5-methylbenzo[h]chromen-2-one
SMILESCc1cc2cc(O)cc(O)c2c2oc(=O)cc(O)c12
InChIInChI=1S/C14H10O5/c1-6-2-7-3-8(15)4-9(16)13(7)14-12(6)10(17)5-11(18)19-14/h2-5,15-17H,1H3
InChIKeyURYCWSZWYNTGEX-UHFFFAOYSA-N
XLogP2.37
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-Methylumbelliferone
CID 5280567
Cannabinol
CID 2543
5,7-Dihydroxy-4-methylcoumarin
CID 5354284
Serratin
CID 5398649
Demethylsuberosin
CID 5316525
Osthenol
CID 5320318
Diffractaic Acid
CID 94870
Rubrofusarin
CID 72537
4-Phenyl-7,8-dihydroxycoumarin
CID 5413034
Nordalbergin
CID 5320203
4-Methoxy-9,10-Dihydrophenanthrene-2,7-Diol
CID 11390848
Lusianthridin
CID 442702

Frequently Asked Questions

What is the IUPAC name of 4,8,10-trihydroxy-5-methylbenzo[h]chromen-2-one?
The IUPAC name of 4,8,10-trihydroxy-5-methylbenzo[h]chromen-2-one (CID 54692973) is 4,8,10-trihydroxy-5-methylbenzo[h]chromen-2-one.
What is the SMILES notation for 4,8,10-trihydroxy-5-methylbenzo[h]chromen-2-one?
The canonical SMILES for 4,8,10-trihydroxy-5-methylbenzo[h]chromen-2-one is Cc1cc2cc(O)cc(O)c2c2oc(=O)cc(O)c12.
What is the InChIKey of 4,8,10-trihydroxy-5-methylbenzo[h]chromen-2-one?
The InChIKey is URYCWSZWYNTGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5/c1-6-2-7-3-8(15)4-9(16)13(7)14-12(6)10(17)5-11(18)19-14/h2-5,15-17H,1H3.
What are the key properties of 4,8,10-trihydroxy-5-methylbenzo[h]chromen-2-one?
4,8,10-trihydroxy-5-methylbenzo[h]chromen-2-one has a molecular weight of 258.23 g/mol, XLogP of 2.37, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,10-trihydroxy-5-methylbenzo[h]chromen-2-one is sourced from PubChem (CID 54692973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).