(7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate

C22H14O5 — CID 11068297

IUPAC(7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate
SMILESO=C(Oc1cc(O)cc2oc(-c3ccccc3)cc(=O)c12)c1ccccc1
InChIInChI=1S/C22H14O5/c23-16-11-19-21(17(24)13-18(26-19)14-7-3-1-4-8-14)20(12-16)27-22(25)15-9-5-2-6-10-15/h1-13,23H
InChIKeyRVNAVEITRPICFH-UHFFFAOYSA-N
MW358.35 g/mol
LogP4.38
Rot. Bonds3

About (7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate

(7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate (PubChem CID 11068297) has the molecular formula C22H14O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is (7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate.

Molecular Properties

Compound Name(7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate
PubChem CID11068297
Molecular FormulaC22H14O5
Molecular Weight358.35 g/mol
Exact Mass358.08
IUPAC Name(7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate
SMILESO=C(Oc1cc(O)cc2oc(-c3ccccc3)cc(=O)c12)c1ccccc1
InChIInChI=1S/C22H14O5/c23-16-11-19-21(17(24)13-18(26-19)14-7-3-1-4-8-14)20(12-16)27-22(25)15-9-5-2-6-10-15/h1-13,23H
InChIKeyRVNAVEITRPICFH-UHFFFAOYSA-N
XLogP4.38
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(7-hydroxy-4-oxo-2-phenylchromen-5-yl) hexanoate
CID 11035561
(5-hydroxy-6-methyl-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate
CID 58178607
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 69450862
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702
(8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate
CID 71602857
[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-yl] 2-methylpropanoate
CID 44610153
[4-oxo-2-phenyl-7-(trifluoromethylsulfonyloxy)chromen-5-yl] acetate
CID 10502628
7-hydroxy-2-phenylchromen-4-one
CID 5281894
CID 172853606
CID 172853606
6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one
CID 171061853

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate?
The IUPAC name of (7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate (CID 11068297) is (7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate.
What is the SMILES notation for (7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate?
The canonical SMILES for (7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate is O=C(Oc1cc(O)cc2oc(-c3ccccc3)cc(=O)c12)c1ccccc1.
What is the InChIKey of (7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate?
The InChIKey is RVNAVEITRPICFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O5/c23-16-11-19-21(17(24)13-18(26-19)14-7-3-1-4-8-14)20(12-16)27-22(25)15-9-5-2-6-10-15/h1-13,23H.
What are the key properties of (7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate?
(7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate has a molecular weight of 358.35 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate is sourced from PubChem (CID 11068297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).