(2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid

C17H12O5 — CID 905948

IUPAC(2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid
SMILESO=C(O)[C@H](Oc1ccc2ccc(=O)oc2c1)c1ccccc1
InChIInChI=1S/C17H12O5/c18-15-9-7-11-6-8-13(10-14(11)22-15)21-16(17(19)20)12-4-2-1-3-5-12/h1-10,16H,(H,19,20)/t16-/m1/s1
InChIKeyRSJIHDBGVSYSFI-MRXNPFEDSA-N
MW296.28 g/mol
LogP3.00
Rot. Bonds4

About (2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid

(2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid (PubChem CID 905948) has the molecular formula C17H12O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is (2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid
PubChem CID905948
Molecular FormulaC17H12O5
Molecular Weight296.28 g/mol
Exact Mass296.07
IUPAC Name(2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid
SMILESO=C(O)[C@H](Oc1ccc2ccc(=O)oc2c1)c1ccccc1
InChIInChI=1S/C17H12O5/c18-15-9-7-11-6-8-13(10-14(11)22-15)21-16(17(19)20)12-4-2-1-3-5-12/h1-10,16H,(H,19,20)/t16-/m1/s1
InChIKeyRSJIHDBGVSYSFI-MRXNPFEDSA-N
XLogP3.00
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-(2-oxochromen-7-yl)oxy-2-phenylacetate
CID 2325657
7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one
CID 7715462
(2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide
CID 7233639
(2R)-2-(4-methyl-2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 855004
N-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide
CID 16504572
2-[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl]oxy-2-phenylacetic acid
CID 22684544
(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
CID 7564455
(2-oxochromen-7-yl) (3R)-3-phenylbutanoate
CID 7920875
(2R)-2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 906268
N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2128769
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
(2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564420

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid?
The IUPAC name of (2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid (CID 905948) is (2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid is O=C(O)[C@H](Oc1ccc2ccc(=O)oc2c1)c1ccccc1.
What is the InChIKey of (2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid?
The InChIKey is RSJIHDBGVSYSFI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H12O5/c18-15-9-7-11-6-8-13(10-14(11)22-15)21-16(17(19)20)12-4-2-1-3-5-12/h1-10,16H,(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid?
(2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid has a molecular weight of 296.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid is sourced from PubChem (CID 905948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).