3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one

C15H12O3 — CID 69198622

IUPAC3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
SMILESO=C1Oc2ccccc2CC1c1ccc(O)cc1
InChIInChI=1S/C15H12O3/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-8,13,16H,9H2
InChIKeyGSXKGUVKCRGXNH-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.64
Rot. Bonds1

About 3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one

3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one (PubChem CID 69198622) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
PubChem CID69198622
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
SMILESO=C1Oc2ccccc2CC1c1ccc(O)cc1
InChIInChI=1S/C15H12O3/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-8,13,16H,9H2
InChIKeyGSXKGUVKCRGXNH-UHFFFAOYSA-N
XLogP2.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one?
The IUPAC name of 3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one (CID 69198622) is 3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one is O=C1Oc2ccccc2CC1c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one?
The InChIKey is GSXKGUVKCRGXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-8,13,16H,9H2.
What are the key properties of 3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one?
3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one has a molecular weight of 240.26 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 69198622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).