1,3-dihydroxybenzo[b]xanthen-12-one

C17H10O4 — CID 10707705

IUPAC1,3-dihydroxybenzo[b]xanthen-12-one
SMILESO=c1c2cc3ccccc3cc2oc2cc(O)cc(O)c12
InChIInChI=1S/C17H10O4/c18-11-7-13(19)16-15(8-11)21-14-6-10-4-2-1-3-9(10)5-12(14)17(16)20/h1-8,18-19H
InChIKeyMSAPVEXKCXYFIM-UHFFFAOYSA-N
MW278.26 g/mol
LogP3.51
Rot. Bonds

About 1,3-dihydroxybenzo[b]xanthen-12-one

1,3-dihydroxybenzo[b]xanthen-12-one (PubChem CID 10707705) has the molecular formula C17H10O4 and a molecular weight of 278.26 g/mol. Its IUPAC name is 1,3-dihydroxybenzo[b]xanthen-12-one.

Molecular Properties

Compound Name1,3-dihydroxybenzo[b]xanthen-12-one
PubChem CID10707705
Molecular FormulaC17H10O4
Molecular Weight278.26 g/mol
Exact Mass278.06
IUPAC Name1,3-dihydroxybenzo[b]xanthen-12-one
SMILESO=c1c2cc3ccccc3cc2oc2cc(O)cc(O)c12
InChIInChI=1S/C17H10O4/c18-11-7-13(19)16-15(8-11)21-14-6-10-4-2-1-3-9(10)5-12(14)17(16)20/h1-8,18-19H
InChIKeyMSAPVEXKCXYFIM-UHFFFAOYSA-N
XLogP3.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1,3-dihydroxybenzo[b]xanthen-12-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Apigenin
CID 5280443
Naringenin
CID 439246
Chrysin
CID 5281607
Urolithin A
CID 5488186
Amentoflavone
CID 5281600
Beta-Naphthoflavone
CID 2361
delta9-Tetrahydrocannabinolic acid
CID 98523
Liquiritigenin
CID 114829
(+)-Pinocembrin
CID 68071
(+-)-Naringenin
CID 932
Physcion
CID 10639
Rottlerin
CID 5281847

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxybenzo[b]xanthen-12-one?
The IUPAC name of 1,3-dihydroxybenzo[b]xanthen-12-one (CID 10707705) is 1,3-dihydroxybenzo[b]xanthen-12-one.
What is the SMILES notation for 1,3-dihydroxybenzo[b]xanthen-12-one?
The canonical SMILES for 1,3-dihydroxybenzo[b]xanthen-12-one is O=c1c2cc3ccccc3cc2oc2cc(O)cc(O)c12.
What is the InChIKey of 1,3-dihydroxybenzo[b]xanthen-12-one?
The InChIKey is MSAPVEXKCXYFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O4/c18-11-7-13(19)16-15(8-11)21-14-6-10-4-2-1-3-9(10)5-12(14)17(16)20/h1-8,18-19H.
What are the key properties of 1,3-dihydroxybenzo[b]xanthen-12-one?
1,3-dihydroxybenzo[b]xanthen-12-one has a molecular weight of 278.26 g/mol, XLogP of 3.51, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxybenzo[b]xanthen-12-one is sourced from PubChem (CID 10707705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).