5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]phenyl]-6-oxopyran-2-carboxylic acid

C24H22O6 — CID 175572489

IUPAC5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]phenyl]-6-oxopyran-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Cc1ccccc1-c1ccccc1-c1ccc(C(=O)O)oc1=O
InChIInChI=1S/C24H22O6/c1-24(2,3)30-21(25)14-15-8-4-5-9-16(15)17-10-6-7-11-18(17)19-12-13-20(22(26)27)29-23(19)28/h4-13H,14H2,1-3H3,(H,26,27)
InChIKeyFMPBQHAXXBTFRN-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.56
Rot. Bonds5

About 5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]phenyl]-6-oxopyran-2-carboxylic acid

5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]phenyl]-6-oxopyran-2-carboxylic acid (PubChem CID 175572489) has the molecular formula C24H22O6 and a molecular weight of 406.43 g/mol. Its IUPAC name is 5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]phenyl]-6-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]phenyl]-6-oxopyran-2-carboxylic acid
PubChem CID175572489
Molecular FormulaC24H22O6
Molecular Weight406.43 g/mol
Exact Mass406.14
IUPAC Name5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]phenyl]-6-oxopyran-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Cc1ccccc1-c1ccccc1-c1ccc(C(=O)O)oc1=O
InChIInChI=1S/C24H22O6/c1-24(2,3)30-21(25)14-15-8-4-5-9-16(15)17-10-6-7-11-18(17)19-12-13-20(22(26)27)29-23(19)28/h4-13H,14H2,1-3H3,(H,26,27)
InChIKeyFMPBQHAXXBTFRN-UHFFFAOYSA-N
XLogP4.56
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]phenyl]-6-oxopyran-2-carboxylic acid with MolForge

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Related Compounds

5-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-phenylphenyl]-6-oxopyran-2-carboxylic acid
CID 175572490
tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate
CID 88715166
5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63942948
5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid
CID 81462245
tert-butyl 2-(2-acetyl-1-benzofuran-7-yl)acetate
CID 10849916
tert-butyl 3-[2-(5-methyl-1,3-oxazol-4-yl)phenyl]propanoate
CID 141059646
tert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate
CID 102111211
(2S)-2-amino-2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
CID 10803655
tert-butyl 3-(4,9-dioxobenzo[f][1]benzofuran-2-yl)-3-oxopropanoate
CID 129022524
tert-butyl 4-oxo-5-phenylpentanoate
CID 119056831
5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165489417
tert-butyl 2-[4-(2-oxoethyl)phenyl]acetate
CID 159057903

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]phenyl]-6-oxopyran-2-carboxylic acid?
The IUPAC name of 5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]phenyl]-6-oxopyran-2-carboxylic acid (CID 175572489) is 5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]phenyl]-6-oxopyran-2-carboxylic acid.
What is the SMILES notation for 5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]phenyl]-6-oxopyran-2-carboxylic acid?
The canonical SMILES for 5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]phenyl]-6-oxopyran-2-carboxylic acid is CC(C)(C)OC(=O)Cc1ccccc1-c1ccccc1-c1ccc(C(=O)O)oc1=O.
What is the InChIKey of 5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]phenyl]-6-oxopyran-2-carboxylic acid?
The InChIKey is FMPBQHAXXBTFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O6/c1-24(2,3)30-21(25)14-15-8-4-5-9-16(15)17-10-6-7-11-18(17)19-12-13-20(22(26)27)29-23(19)28/h4-13H,14H2,1-3H3,(H,26,27).
What are the key properties of 5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]phenyl]-6-oxopyran-2-carboxylic acid?
5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]phenyl]-6-oxopyran-2-carboxylic acid has a molecular weight of 406.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]phenyl]-6-oxopyran-2-carboxylic acid is sourced from PubChem (CID 175572489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).