2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid

C20H18O6 — CID 7742761

IUPAC2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid
SMILESCOc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCC(=O)O)cc1
InChIInChI=1S/C20H18O6/c1-11-8-15-16(9-12(11)2)26-19(13-4-6-14(24-3)7-5-13)20(18(15)23)25-10-17(21)22/h4-9H,10H2,1-3H3,(H,21,22)
InChIKeyNCFFXAYBNGUXBW-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.55
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid

2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid (PubChem CID 7742761) has the molecular formula C20H18O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid
PubChem CID7742761
Molecular FormulaC20H18O6
Molecular Weight354.36 g/mol
Exact Mass354.11
IUPAC Name2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid
SMILESCOc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCC(=O)O)cc1
InChIInChI=1S/C20H18O6/c1-11-8-15-16(9-12(11)2)26-19(13-4-6-14(24-3)7-5-13)20(18(15)23)25-10-17(21)22/h4-9H,10H2,1-3H3,(H,21,22)
InChIKeyNCFFXAYBNGUXBW-UHFFFAOYSA-N
XLogP3.55
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl] benzoate
CID 7742740
2-[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21001390
2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one
CID 7742836
2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20999802
2-[2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7732418
ethyl 2-[[2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 20999821
3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999766
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 20999810
methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
CID 2240973
2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide
CID 21000993
N-(3,5-dichlorophenyl)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 20999510
[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl] benzoate
CID 21001587

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid (CID 7742761) is 2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid is COc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid?
The InChIKey is NCFFXAYBNGUXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O6/c1-11-8-15-16(9-12(11)2)26-19(13-4-6-14(24-3)7-5-13)20(18(15)23)25-10-17(21)22/h4-9H,10H2,1-3H3,(H,21,22).
What are the key properties of 2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid?
2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid has a molecular weight of 354.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid is sourced from PubChem (CID 7742761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).