5-hydroxy-2-(4-hydroxy-3-methylphenyl)-2,3-dihydrochromen-4-one

C16H14O4 — CID 71083960

IUPAC5-hydroxy-2-(4-hydroxy-3-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1cc(C2CC(=O)c3c(O)cccc3O2)ccc1O
InChIInChI=1S/C16H14O4/c1-9-7-10(5-6-11(9)17)15-8-13(19)16-12(18)3-2-4-14(16)20-15/h2-7,15,17-18H,8H2,1H3
InChIKeyYXGBUNLNSHSIIQ-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.11
Rot. Bonds1

About 5-hydroxy-2-(4-hydroxy-3-methylphenyl)-2,3-dihydrochromen-4-one

5-hydroxy-2-(4-hydroxy-3-methylphenyl)-2,3-dihydrochromen-4-one (PubChem CID 71083960) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxy-3-methylphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxy-3-methylphenyl)-2,3-dihydrochromen-4-one
PubChem CID71083960
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name5-hydroxy-2-(4-hydroxy-3-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1cc(C2CC(=O)c3c(O)cccc3O2)ccc1O
InChIInChI=1S/C16H14O4/c1-9-7-10(5-6-11(9)17)15-8-13(19)16-12(18)3-2-4-14(16)20-15/h2-7,15,17-18H,8H2,1H3
InChIKeyYXGBUNLNSHSIIQ-UHFFFAOYSA-N
XLogP3.11
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxy-3-methylphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 5-hydroxy-2-(4-hydroxy-3-methylphenyl)-2,3-dihydrochromen-4-one (CID 71083960) is 5-hydroxy-2-(4-hydroxy-3-methylphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxy-3-methylphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 5-hydroxy-2-(4-hydroxy-3-methylphenyl)-2,3-dihydrochromen-4-one is Cc1cc(C2CC(=O)c3c(O)cccc3O2)ccc1O.
What is the InChIKey of 5-hydroxy-2-(4-hydroxy-3-methylphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is YXGBUNLNSHSIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-9-7-10(5-6-11(9)17)15-8-13(19)16-12(18)3-2-4-14(16)20-15/h2-7,15,17-18H,8H2,1H3.
What are the key properties of 5-hydroxy-2-(4-hydroxy-3-methylphenyl)-2,3-dihydrochromen-4-one?
5-hydroxy-2-(4-hydroxy-3-methylphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 270.28 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxy-3-methylphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 71083960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).