2-[4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl]acetic acid

C20H18O7 — CID 10595321

IUPAC2-[4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl]acetic acid
SMILESCOc1ccc(-c2cc(=O)c3cccc(CC(=O)O)c3o2)c(OC)c1OC
InChIInChI=1S/C20H18O7/c1-24-15-8-7-13(19(25-2)20(15)26-3)16-10-14(21)12-6-4-5-11(9-17(22)23)18(12)27-16/h4-8,10H,9H2,1-3H3,(H,22,23)
InChIKeyRPQRJFMUDIZMAO-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.11
Rot. Bonds6

About 2-[4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl]acetic acid

2-[4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl]acetic acid (PubChem CID 10595321) has the molecular formula C20H18O7 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-[4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl]acetic acid.

Molecular Properties

Compound Name2-[4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl]acetic acid
PubChem CID10595321
Molecular FormulaC20H18O7
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name2-[4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl]acetic acid
SMILESCOc1ccc(-c2cc(=O)c3cccc(CC(=O)O)c3o2)c(OC)c1OC
InChIInChI=1S/C20H18O7/c1-24-15-8-7-13(19(25-2)20(15)26-3)16-10-14(21)12-6-4-5-11(9-17(22)23)18(12)27-16/h4-8,10H,9H2,1-3H3,(H,22,23)
InChIKeyRPQRJFMUDIZMAO-UHFFFAOYSA-N
XLogP3.11
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid
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3-[5-(8-chloro-4-oxochromen-2-yl)-2-methoxyphenoxy]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl]acetic acid?
The IUPAC name of 2-[4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl]acetic acid (CID 10595321) is 2-[4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl]acetic acid.
What is the SMILES notation for 2-[4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl]acetic acid?
The canonical SMILES for 2-[4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl]acetic acid is COc1ccc(-c2cc(=O)c3cccc(CC(=O)O)c3o2)c(OC)c1OC.
What is the InChIKey of 2-[4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl]acetic acid?
The InChIKey is RPQRJFMUDIZMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O7/c1-24-15-8-7-13(19(25-2)20(15)26-3)16-10-14(21)12-6-4-5-11(9-17(22)23)18(12)27-16/h4-8,10H,9H2,1-3H3,(H,22,23).
What are the key properties of 2-[4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl]acetic acid?
2-[4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl]acetic acid has a molecular weight of 370.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl]acetic acid is sourced from PubChem (CID 10595321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).