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

C15H12O4 — CID 78101646

IUPAC7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
SMILESO=C1CC(c2ccc(O)cc2)c2ccc(O)cc2O1
InChIInChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-15(18)19-14-7-11(17)5-6-12(13)14/h1-7,13,16-17H,8H2
InChIKeyUOFMGGXRSWGIBZ-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.54
Rot. Bonds1

About 7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one

7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one (PubChem CID 78101646) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
PubChem CID78101646
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
SMILESO=C1CC(c2ccc(O)cc2)c2ccc(O)cc2O1
InChIInChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-15(18)19-14-7-11(17)5-6-12(13)14/h1-7,13,16-17H,8H2
InChIKeyUOFMGGXRSWGIBZ-UHFFFAOYSA-N
XLogP2.54
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one
CID 20570530
7-hydroxy-2-oxo-3,4-dihydrochromene-4-carboxylic acid
CID 70676635
4-[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]-7-hydroxy-3,4-dihydrochromen-2-one
CID 20984977
(4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one
CID 159529781
(4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 101014337
4-(2-ethoxy-4-methoxyphenyl)-7-hydroxy-3,4-dihydrochromen-2-one
CID 20984581
(4R)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-7-propoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-7-propoxy-3,4-dihydrochromen-2-one;(4R)-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one;(4S)-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 159625686
5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 11460348
(2S)-2-amino-3-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)propanoic acid
CID 138638253
4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 101088863
(4R)-7-ethoxy-4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one;(4S)-7-ethoxy-4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 158798146
2-[[4-(4-methoxyphenyl)-2-oxo-3,4-dihydrochromen-7-yl]oxy]-3-methylbutanoic acid
CID 22688080

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one?
The IUPAC name of 7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one (CID 78101646) is 7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one is O=C1CC(c2ccc(O)cc2)c2ccc(O)cc2O1.
What is the InChIKey of 7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one?
The InChIKey is UOFMGGXRSWGIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-15(18)19-14-7-11(17)5-6-12(13)14/h1-7,13,16-17H,8H2.
What are the key properties of 7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one?
7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one has a molecular weight of 256.26 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 78101646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).