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

C16H16O4 — CID 591830

IUPAC3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1cc(O)ccc1C1COc2cc(O)ccc2C1
InChIInChI=1S/C16H16O4/c1-19-16-8-13(18)4-5-14(16)11-6-10-2-3-12(17)7-15(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3
InChIKeyFFDNYMAHNWBKCH-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.83
Rot. Bonds2

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

3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 591830) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID591830
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1cc(O)ccc1C1COc2cc(O)ccc2C1
InChIInChI=1S/C16H16O4/c1-19-16-8-13(18)4-5-14(16)11-6-10-2-3-12(17)7-15(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3
InChIKeyFFDNYMAHNWBKCH-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 591830) is 3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is COc1cc(O)ccc1C1COc2cc(O)ccc2C1.
What is the InChIKey of 3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is FFDNYMAHNWBKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-16-8-13(18)4-5-14(16)11-6-10-2-3-12(17)7-15(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3.
What are the key properties of 3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 272.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 591830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).