5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one

C16H14O4 — CID 122581168

IUPAC5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccccc2)Oc2cc(CO)cc(O)c21
InChIInChI=1S/C16H14O4/c17-9-10-6-12(18)16-13(19)8-14(20-15(16)7-10)11-4-2-1-3-5-11/h1-7,14,17-18H,8-9H2
InChIKeyAZTAQMQWFPLFOG-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.59
Rot. Bonds2

About 5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one

5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 122581168) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID122581168
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccccc2)Oc2cc(CO)cc(O)c21
InChIInChI=1S/C16H14O4/c17-9-10-6-12(18)16-13(19)8-14(20-15(16)7-10)11-4-2-1-3-5-11/h1-7,14,17-18H,8-9H2
InChIKeyAZTAQMQWFPLFOG-UHFFFAOYSA-N
XLogP2.59
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane
CID 143810700
7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 138485078
7-ethyl-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 143737118
5,8-dihydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 122415336
5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one
CID 54587409
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
5-hydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 91538397
2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 11483087
(2S)-8-[(dimethylamino)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 3075480
(2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 38360850
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
CID 174718034
2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one
CID 53461819

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one (CID 122581168) is 5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one is O=C1CC(c2ccccc2)Oc2cc(CO)cc(O)c21.
What is the InChIKey of 5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is AZTAQMQWFPLFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c17-9-10-6-12(18)16-13(19)8-14(20-15(16)7-10)11-4-2-1-3-5-11/h1-7,14,17-18H,8-9H2.
What are the key properties of 5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one?
5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 270.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 122581168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).