5-(6-hydroxy-4H-chromen-2-yl)benzene-1,3-diol

C15H12O4 — CID 69083524

IUPAC5-(6-hydroxy-4H-chromen-2-yl)benzene-1,3-diol
SMILESOc1cc(O)cc(C2=CCc3cc(O)ccc3O2)c1
InChIInChI=1S/C15H12O4/c16-11-2-4-14-9(5-11)1-3-15(19-14)10-6-12(17)8-13(18)7-10/h2-8,16-18H,1H2
InChIKeyPSJDGRFXMPVLFX-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.78
Rot. Bonds1

About 5-(6-hydroxy-4H-chromen-2-yl)benzene-1,3-diol

5-(6-hydroxy-4H-chromen-2-yl)benzene-1,3-diol (PubChem CID 69083524) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-(6-hydroxy-4H-chromen-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(6-hydroxy-4H-chromen-2-yl)benzene-1,3-diol
PubChem CID69083524
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name5-(6-hydroxy-4H-chromen-2-yl)benzene-1,3-diol
SMILESOc1cc(O)cc(C2=CCc3cc(O)ccc3O2)c1
InChIInChI=1S/C15H12O4/c16-11-2-4-14-9(5-11)1-3-15(19-14)10-6-12(17)8-13(18)7-10/h2-8,16-18H,1H2
InChIKeyPSJDGRFXMPVLFX-UHFFFAOYSA-N
XLogP2.78
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9064
Epicatechin
CID 72276
Equol
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Cannabinol
CID 2543
(+-)-Cannabichromene
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Phenoxodiol
CID 219100
4',7-Dihydroxy-3,4-dihydroisoflavone
CID 382975
2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
CID 1203
Vestitol, (-)-
CID 182259
Afzelechin
CID 442154
Pinosylvin monomethyl ether
CID 5281719
(-)-Catechol
CID 73160

Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxy-4H-chromen-2-yl)benzene-1,3-diol?
The IUPAC name of 5-(6-hydroxy-4H-chromen-2-yl)benzene-1,3-diol (CID 69083524) is 5-(6-hydroxy-4H-chromen-2-yl)benzene-1,3-diol.
What is the SMILES notation for 5-(6-hydroxy-4H-chromen-2-yl)benzene-1,3-diol?
The canonical SMILES for 5-(6-hydroxy-4H-chromen-2-yl)benzene-1,3-diol is Oc1cc(O)cc(C2=CCc3cc(O)ccc3O2)c1.
What is the InChIKey of 5-(6-hydroxy-4H-chromen-2-yl)benzene-1,3-diol?
The InChIKey is PSJDGRFXMPVLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-11-2-4-14-9(5-11)1-3-15(19-14)10-6-12(17)8-13(18)7-10/h2-8,16-18H,1H2.
What are the key properties of 5-(6-hydroxy-4H-chromen-2-yl)benzene-1,3-diol?
5-(6-hydroxy-4H-chromen-2-yl)benzene-1,3-diol has a molecular weight of 256.26 g/mol, XLogP of 2.78, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxy-4H-chromen-2-yl)benzene-1,3-diol is sourced from PubChem (CID 69083524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).