8-hydroxy-6,7-bis(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one

C17H16O5 — CID 122415337

IUPAC8-hydroxy-6,7-bis(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccccc2)Oc2c1cc(CO)c(CO)c2O
InChIInChI=1S/C17H16O5/c18-8-11-6-12-14(20)7-15(10-4-2-1-3-5-10)22-17(12)16(21)13(11)9-19/h1-6,15,18-19,21H,7-9H2
InChIKeyWVGCGNYAJYOMGS-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.08
Rot. Bonds3

About 8-hydroxy-6,7-bis(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one

8-hydroxy-6,7-bis(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 122415337) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 8-hydroxy-6,7-bis(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-hydroxy-6,7-bis(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID122415337
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name8-hydroxy-6,7-bis(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccccc2)Oc2c1cc(CO)c(CO)c2O
InChIInChI=1S/C17H16O5/c18-8-11-6-12-14(20)7-15(10-4-2-1-3-5-10)22-17(12)16(21)13(11)9-19/h1-6,15,18-19,21H,7-9H2
InChIKeyWVGCGNYAJYOMGS-UHFFFAOYSA-N
XLogP2.08
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5,8-dihydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 122415336
(2S)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 162844838
5-phenyloxolane-2,3-dione
CID 14450727
8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 102160888
(2R)-6,8-bis[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 38360858
(2S)-8-[(dimethylamino)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 3075480
5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 122581168
6,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 24978119
(2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 38360850
7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 42607833
(2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 3075481
5-hydroxy-8-[(2-hydroxy-5-methoxyphenyl)methyl]-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 12041830

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6,7-bis(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 8-hydroxy-6,7-bis(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one (CID 122415337) is 8-hydroxy-6,7-bis(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-hydroxy-6,7-bis(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-hydroxy-6,7-bis(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one is O=C1CC(c2ccccc2)Oc2c1cc(CO)c(CO)c2O.
What is the InChIKey of 8-hydroxy-6,7-bis(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is WVGCGNYAJYOMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c18-8-11-6-12-14(20)7-15(10-4-2-1-3-5-10)22-17(12)16(21)13(11)9-19/h1-6,15,18-19,21H,7-9H2.
What are the key properties of 8-hydroxy-6,7-bis(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one?
8-hydroxy-6,7-bis(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 300.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6,7-bis(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 122415337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).