3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol

C17H16O4 — CID 121430342

IUPAC3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol
SMILESCOc1cc(C2=C(C)c3cc(O)ccc3OC2)ccc1O
InChIInChI=1S/C17H16O4/c1-10-13-8-12(18)4-6-16(13)21-9-14(10)11-3-5-15(19)17(7-11)20-2/h3-8,18-19H,9H2,1-2H3
InChIKeyZNMHECZEVSNIKW-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.43
Rot. Bonds2

About 3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol

3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol (PubChem CID 121430342) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol.

Molecular Properties

Compound Name3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol
PubChem CID121430342
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol
SMILESCOc1cc(C2=C(C)c3cc(O)ccc3OC2)ccc1O
InChIInChI=1S/C17H16O4/c1-10-13-8-12(18)4-6-16(13)21-9-14(10)11-3-5-15(19)17(7-11)20-2/h3-8,18-19H,9H2,1-2H3
InChIKeyZNMHECZEVSNIKW-UHFFFAOYSA-N
XLogP3.43
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol?
The IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol (CID 121430342) is 3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol.
What is the SMILES notation for 3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol?
The canonical SMILES for 3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol is COc1cc(C2=C(C)c3cc(O)ccc3OC2)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol?
The InChIKey is ZNMHECZEVSNIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-10-13-8-12(18)4-6-16(13)21-9-14(10)11-3-5-15(19)17(7-11)20-2/h3-8,18-19H,9H2,1-2H3.
What are the key properties of 3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol?
3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol has a molecular weight of 284.31 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol is sourced from PubChem (CID 121430342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).