8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one

C22H18O3 — CID 102160888

IUPAC8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccccc2)Oc2c1ccc(O)c2Cc1ccccc1
InChIInChI=1S/C22H18O3/c23-19-12-11-17-20(24)14-21(16-9-5-2-6-10-16)25-22(17)18(19)13-15-7-3-1-4-8-15/h1-12,21,23H,13-14H2
InChIKeyKPAKNYWAVRXRGA-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.69
Rot. Bonds3

About 8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one

8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 102160888) has the molecular formula C22H18O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is 8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID102160888
Molecular FormulaC22H18O3
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccccc2)Oc2c1ccc(O)c2Cc1ccccc1
InChIInChI=1S/C22H18O3/c23-19-12-11-17-20(24)14-21(16-9-5-2-6-10-16)25-22(17)18(19)13-15-7-3-1-4-8-15/h1-12,21,23H,13-14H2
InChIKeyKPAKNYWAVRXRGA-UHFFFAOYSA-N
XLogP4.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 42607833
5-phenyloxolane-2,3-dione
CID 14450727
(2S)-7-hydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 132915901
7-hydroxy-8-[[6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]methyl]-3,3,5,5-tetramethyl-1,4-dioxan-2-yl]methyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 162862030
8-hydroxy-6,7-bis(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 122415337
(2R)-6,8-bis[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 38360858
(2S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 162935204
(2S)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 162844838
(2S)-8-[(dimethylamino)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 3075480
5,8-dihydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 122415336
(2S)-7-hydroxy-2-[4-hydroxy-3-[(E)-pent-3-en-2-yl]phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 21147598
5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 122581168

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one (CID 102160888) is 8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one is O=C1CC(c2ccccc2)Oc2c1ccc(O)c2Cc1ccccc1.
What is the InChIKey of 8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is KPAKNYWAVRXRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O3/c23-19-12-11-17-20(24)14-21(16-9-5-2-6-10-16)25-22(17)18(19)13-15-7-3-1-4-8-15/h1-12,21,23H,13-14H2.
What are the key properties of 8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one?
8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 330.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 102160888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).