5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one

C16H12O5 — CID 15661821

IUPAC5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
SMILESCc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C16H12O5/c1-8-15(20)14-12(19)6-11(18)7-13(14)21-16(8)9-2-4-10(17)5-3-9/h2-7,17-19H,1H3
InChIKeyDTLVBQJRCLSJRB-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.89
Rot. Bonds1

About 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one (PubChem CID 15661821) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
PubChem CID15661821
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
SMILESCc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C16H12O5/c1-8-15(20)14-12(19)6-11(18)7-13(14)21-16(8)9-2-4-10(17)5-3-9/h2-7,17-19H,1H3
InChIKeyDTLVBQJRCLSJRB-UHFFFAOYSA-N
XLogP2.89
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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5,7-dihydroxy-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]chromen-4-one
CID 152927752
3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one
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3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
4-(3,5,7-trihydroxy-4-oxochromen-2-yl)benzoic acid
CID 86205753
2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 11579699
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CID 175525833

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one (CID 15661821) is 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one is Cc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O.
What is the InChIKey of 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one?
The InChIKey is DTLVBQJRCLSJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-8-15(20)14-12(19)6-11(18)7-13(14)21-16(8)9-2-4-10(17)5-3-9/h2-7,17-19H,1H3.
What are the key properties of 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one?
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one has a molecular weight of 284.27 g/mol, XLogP of 2.89, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one is sourced from PubChem (CID 15661821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).