(2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid

C24H18O5 — CID 978425

IUPAC(2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid
SMILESCc1c(O[C@@H](C(=O)O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12
InChIInChI=1S/C24H18O5/c1-15-20(28-23(24(26)27)17-10-6-3-7-11-17)13-12-18-19(14-21(25)29-22(15)18)16-8-4-2-5-9-16/h2-14,23H,1H3,(H,26,27)/t23-/m1/s1
InChIKeyBGEVOTWGOHBDHG-HSZRJFAPSA-N
MW386.40 g/mol
LogP4.97
Rot. Bonds5

About (2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid

(2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid (PubChem CID 978425) has the molecular formula C24H18O5 and a molecular weight of 386.40 g/mol. Its IUPAC name is (2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid
PubChem CID978425
Molecular FormulaC24H18O5
Molecular Weight386.40 g/mol
Exact Mass386.12
IUPAC Name(2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid
SMILESCc1c(O[C@@H](C(=O)O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12
InChIInChI=1S/C24H18O5/c1-15-20(28-23(24(26)27)17-10-6-3-7-11-17)13-12-18-19(14-21(25)29-22(15)18)16-8-4-2-5-9-16/h2-14,23H,1H3,(H,26,27)/t23-/m1/s1
InChIKeyBGEVOTWGOHBDHG-HSZRJFAPSA-N
XLogP4.97
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxypropanoic acid
CID 20991063
(2S)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetic acid
CID 1188203
N-[(2R)-2-hydroxy-2-phenylethyl]-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 40825213
N-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 4838441
(2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7070038
(8-methyl-2-oxo-4-phenylchromen-7-yl) benzenesulfonate
CID 2291880
4-hydroxy-8-methyl-7-(1-phenylethoxy)chromen-2-one
CID 54719972
7-[2-(4-bromophenyl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one
CID 4914745
methyl (2S)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxy-2-phenylacetate
CID 7345361
ethyl (2R)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxypropanoate
CID 1332926
8-methyl-4-phenyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
CID 162901540
(8-methyl-2-oxo-4-phenylchromen-7-yl) 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 5196804

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid?
The IUPAC name of (2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid (CID 978425) is (2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid is Cc1c(O[C@@H](C(=O)O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12.
What is the InChIKey of (2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid?
The InChIKey is BGEVOTWGOHBDHG-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H18O5/c1-15-20(28-23(24(26)27)17-10-6-3-7-11-17)13-12-18-19(14-21(25)29-22(15)18)16-8-4-2-5-9-16/h2-14,23H,1H3,(H,26,27)/t23-/m1/s1.
What are the key properties of (2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid?
(2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid has a molecular weight of 386.40 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid is sourced from PubChem (CID 978425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).