2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

C16H16O4 — CID 11196546

IUPAC2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1ccc(C2CCc3ccc(O)cc3O2)cc1O
InChIInChI=1S/C16H16O4/c1-19-15-7-4-11(8-13(15)18)14-6-3-10-2-5-12(17)9-16(10)20-14/h2,4-5,7-9,14,17-18H,3,6H2,1H3
InChIKeyKGTOSQKIOMIICT-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.17
Rot. Bonds2

About 2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 11196546) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID11196546
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1ccc(C2CCc3ccc(O)cc3O2)cc1O
InChIInChI=1S/C16H16O4/c1-19-15-7-4-11(8-13(15)18)14-6-3-10-2-5-12(17)9-16(10)20-14/h2,4-5,7-9,14,17-18H,3,6H2,1H3
InChIKeyKGTOSQKIOMIICT-UHFFFAOYSA-N
XLogP3.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 11196546) is 2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is COc1ccc(C2CCc3ccc(O)cc3O2)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is KGTOSQKIOMIICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-15-7-4-11(8-13(15)18)14-6-3-10-2-5-12(17)9-16(10)20-14/h2,4-5,7-9,14,17-18H,3,6H2,1H3.
What are the key properties of 2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 272.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 11196546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).