2-[3-methyl-4-oxo-2-[(E)-2-phenylethenyl]chromen-8-yl]acetic acid

C20H16O4 — CID 14985939

IUPAC2-[3-methyl-4-oxo-2-[(E)-2-phenylethenyl]chromen-8-yl]acetic acid
SMILESCc1c(/C=C/c2ccccc2)oc2c(CC(=O)O)cccc2c1=O
InChIInChI=1S/C20H16O4/c1-13-17(11-10-14-6-3-2-4-7-14)24-20-15(12-18(21)22)8-5-9-16(20)19(13)23/h2-11H,12H2,1H3,(H,21,22)/b11-10+
InChIKeyGLBWQBIDDCYAOZ-ZHACJKMWSA-N
MW320.34 g/mol
LogP3.90
Rot. Bonds4

About 2-[3-methyl-4-oxo-2-[(E)-2-phenylethenyl]chromen-8-yl]acetic acid

2-[3-methyl-4-oxo-2-[(E)-2-phenylethenyl]chromen-8-yl]acetic acid (PubChem CID 14985939) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-[3-methyl-4-oxo-2-[(E)-2-phenylethenyl]chromen-8-yl]acetic acid.

Molecular Properties

Compound Name2-[3-methyl-4-oxo-2-[(E)-2-phenylethenyl]chromen-8-yl]acetic acid
PubChem CID14985939
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name2-[3-methyl-4-oxo-2-[(E)-2-phenylethenyl]chromen-8-yl]acetic acid
SMILESCc1c(/C=C/c2ccccc2)oc2c(CC(=O)O)cccc2c1=O
InChIInChI=1S/C20H16O4/c1-13-17(11-10-14-6-3-2-4-7-14)24-20-15(12-18(21)22)8-5-9-16(20)19(13)23/h2-11H,12H2,1H3,(H,21,22)/b11-10+
InChIKeyGLBWQBIDDCYAOZ-ZHACJKMWSA-N
XLogP3.90
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(2-phenylethenyl)chromen-4-one
CID 85448922
4-[(E)-2-[8-(carboxymethyl)-7-methoxy-3-methyl-4-oxochromen-2-yl]ethenyl]benzoic acid
CID 15937343
2-(9-oxoxanthen-4-yl)acetic acid;propane
CID 91358687
sodium 2-(8-methyl-9-oxoxanthen-4-yl)acetic acid
CID 54600888
2-(7-bromo-5,6-dimethyl-9-oxoxanthen-4-yl)acetic acid
CID 24953684
8-ethyl-3-methyl-2-phenylchromen-4-one
CID 59679615
8-(chloromethyl)-3-methyl-2-phenylchromen-4-one
CID 19972408
2-(2,5-dimethyl-9-oxoxanthen-4-yl)acetic acid
CID 14885534
2-(5,6-dimethyl-9-oxoxanthen-1-yl)acetic acid
CID 24847680
3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
CID 735040
2-(2-ethyl-3-phenyl-1-benzofuran-7-yl)acetic acid
CID 3016357
2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid
CID 19741674

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-oxo-2-[(E)-2-phenylethenyl]chromen-8-yl]acetic acid?
The IUPAC name of 2-[3-methyl-4-oxo-2-[(E)-2-phenylethenyl]chromen-8-yl]acetic acid (CID 14985939) is 2-[3-methyl-4-oxo-2-[(E)-2-phenylethenyl]chromen-8-yl]acetic acid.
What is the SMILES notation for 2-[3-methyl-4-oxo-2-[(E)-2-phenylethenyl]chromen-8-yl]acetic acid?
The canonical SMILES for 2-[3-methyl-4-oxo-2-[(E)-2-phenylethenyl]chromen-8-yl]acetic acid is Cc1c(/C=C/c2ccccc2)oc2c(CC(=O)O)cccc2c1=O.
What is the InChIKey of 2-[3-methyl-4-oxo-2-[(E)-2-phenylethenyl]chromen-8-yl]acetic acid?
The InChIKey is GLBWQBIDDCYAOZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H16O4/c1-13-17(11-10-14-6-3-2-4-7-14)24-20-15(12-18(21)22)8-5-9-16(20)19(13)23/h2-11H,12H2,1H3,(H,21,22)/b11-10+.
What are the key properties of 2-[3-methyl-4-oxo-2-[(E)-2-phenylethenyl]chromen-8-yl]acetic acid?
2-[3-methyl-4-oxo-2-[(E)-2-phenylethenyl]chromen-8-yl]acetic acid has a molecular weight of 320.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-oxo-2-[(E)-2-phenylethenyl]chromen-8-yl]acetic acid is sourced from PubChem (CID 14985939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).