3-(4-hydroxyphenyl)-2,4-dimethyl-2H-chromen-7-ol

C17H16O3 — CID 145178984

IUPAC3-(4-hydroxyphenyl)-2,4-dimethyl-2H-chromen-7-ol
SMILESCC1=C(c2ccc(O)cc2)C(C)Oc2cc(O)ccc21
InChIInChI=1S/C17H16O3/c1-10-15-8-7-14(19)9-16(15)20-11(2)17(10)12-3-5-13(18)6-4-12/h3-9,11,18-19H,1-2H3
InChIKeyILFPOEBBERETOR-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.81
Rot. Bonds1

About 3-(4-hydroxyphenyl)-2,4-dimethyl-2H-chromen-7-ol

3-(4-hydroxyphenyl)-2,4-dimethyl-2H-chromen-7-ol (PubChem CID 145178984) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2,4-dimethyl-2H-chromen-7-ol.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2,4-dimethyl-2H-chromen-7-ol
PubChem CID145178984
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name3-(4-hydroxyphenyl)-2,4-dimethyl-2H-chromen-7-ol
SMILESCC1=C(c2ccc(O)cc2)C(C)Oc2cc(O)ccc21
InChIInChI=1S/C17H16O3/c1-10-15-8-7-14(19)9-16(15)20-11(2)17(10)12-3-5-13(18)6-4-12/h3-9,11,18-19H,1-2H3
InChIKeyILFPOEBBERETOR-UHFFFAOYSA-N
XLogP3.81
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-hydroxyphenyl)-2,4-dimethyl-2H-chromen-7-ol?
The IUPAC name of 3-(4-hydroxyphenyl)-2,4-dimethyl-2H-chromen-7-ol (CID 145178984) is 3-(4-hydroxyphenyl)-2,4-dimethyl-2H-chromen-7-ol.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2,4-dimethyl-2H-chromen-7-ol?
The canonical SMILES for 3-(4-hydroxyphenyl)-2,4-dimethyl-2H-chromen-7-ol is CC1=C(c2ccc(O)cc2)C(C)Oc2cc(O)ccc21.
What is the InChIKey of 3-(4-hydroxyphenyl)-2,4-dimethyl-2H-chromen-7-ol?
The InChIKey is ILFPOEBBERETOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-10-15-8-7-14(19)9-16(15)20-11(2)17(10)12-3-5-13(18)6-4-12/h3-9,11,18-19H,1-2H3.
What are the key properties of 3-(4-hydroxyphenyl)-2,4-dimethyl-2H-chromen-7-ol?
3-(4-hydroxyphenyl)-2,4-dimethyl-2H-chromen-7-ol has a molecular weight of 268.31 g/mol, XLogP of 3.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2,4-dimethyl-2H-chromen-7-ol is sourced from PubChem (CID 145178984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).