(8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate

C23H16O4 — CID 71602857

IUPAC(8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate
SMILESCc1c(OC(=O)c2ccccc2)ccc2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C23H16O4/c1-15-20(27-23(25)17-10-6-3-7-11-17)13-12-18-19(24)14-21(26-22(15)18)16-8-4-2-5-9-16/h2-14H,1H3
InChIKeyRWDNTBKWUUEWQF-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.99
Rot. Bonds3

About (8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate

(8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate (PubChem CID 71602857) has the molecular formula C23H16O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is (8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate.

Molecular Properties

Compound Name(8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate
PubChem CID71602857
Molecular FormulaC23H16O4
Molecular Weight356.38 g/mol
Exact Mass356.10
IUPAC Name(8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate
SMILESCc1c(OC(=O)c2ccccc2)ccc2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C23H16O4/c1-15-20(27-23(25)17-10-6-3-7-11-17)13-12-18-19(24)14-21(26-22(15)18)16-8-4-2-5-9-16/h2-14H,1H3
InChIKeyRWDNTBKWUUEWQF-UHFFFAOYSA-N
XLogP4.99
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(6-bromohexoxy)-8-methyl-2-phenylchromen-4-one
CID 71602903
(7-ethoxycarbonyloxy-4-oxo-2-phenylchromen-8-yl) ethyl carbonate
CID 74763707
(7-hydroxy-4-oxo-2-phenylchromen-8-yl) pyridine-4-carboxylate
CID 146347181
(5-hydroxy-6-methyl-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate
CID 58178607
(7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate
CID 146347086
(7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate
CID 11068297
(4-oxo-2-phenylchromen-7-yl) acetate
CID 12553720
(3,4,8-trimethyl-2-oxochromen-7-yl) 3-methoxybenzoate
CID 906880
8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one
CID 178046106
7,8-dihydroxy-2-phenylchromen-4-one
CID 1880
8-methyl-7-[5-(2-methylpiperidin-1-yl)pentoxy]-2-phenylchromen-4-one
CID 71602954
8-(hydroxymethyl)-2-phenylchromen-4-one
CID 141073629

Frequently Asked Questions

What is the IUPAC name of (8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate?
The IUPAC name of (8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate (CID 71602857) is (8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate.
What is the SMILES notation for (8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate?
The canonical SMILES for (8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate is Cc1c(OC(=O)c2ccccc2)ccc2c(=O)cc(-c3ccccc3)oc12.
What is the InChIKey of (8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate?
The InChIKey is RWDNTBKWUUEWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O4/c1-15-20(27-23(25)17-10-6-3-7-11-17)13-12-18-19(24)14-21(26-22(15)18)16-8-4-2-5-9-16/h2-14H,1H3.
What are the key properties of (8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate?
(8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate has a molecular weight of 356.38 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate is sourced from PubChem (CID 71602857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).