3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid

C22H22O5 — CID 21163139

IUPAC3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid
SMILESCCCc1c(OCc2ccccc2)ccc2c(=O)cc(CCC(=O)O)oc12
InChIInChI=1S/C22H22O5/c1-2-6-18-20(26-14-15-7-4-3-5-8-15)11-10-17-19(23)13-16(27-22(17)18)9-12-21(24)25/h3-5,7-8,10-11,13H,2,6,9,12,14H2,1H3,(H,24,25)
InChIKeyXFAQXCIQCDEUOB-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.34
Rot. Bonds8

About 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid

3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid (PubChem CID 21163139) has the molecular formula C22H22O5 and a molecular weight of 366.41 g/mol. Its IUPAC name is 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid
PubChem CID21163139
Molecular FormulaC22H22O5
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC Name3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid
SMILESCCCc1c(OCc2ccccc2)ccc2c(=O)cc(CCC(=O)O)oc12
InChIInChI=1S/C22H22O5/c1-2-6-18-20(26-14-15-7-4-3-5-8-15)11-10-17-19(23)13-16(27-22(17)18)9-12-21(24)25/h3-5,7-8,10-11,13H,2,6,9,12,14H2,1H3,(H,24,25)
InChIKeyXFAQXCIQCDEUOB-UHFFFAOYSA-N
XLogP4.34
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)prop-2-enoate
CID 54194018
8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one
CID 21460068
3-[4,8-dimethyl-2-oxo-7-[(4-phenylphenyl)methoxy]chromen-3-yl]propanoic acid
CID 71462562
4-butyl-8-methyl-7-phenylmethoxychromen-2-one
CID 2902407
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
6-[2-(2-carboxyethyl)-3-[6-(4-oxo-8-propylchromen-7-yl)oxyhexyl]phenoxy]hexanoic acid
CID 10460591
4-methyl-7-phenylmethoxy-8-propanoylchromen-2-one
CID 904800
ethyl 4-[8-ethyl-4-methyl-2-oxo-7-[(4-phenylphenyl)methoxy]chromen-3-yl]butanoate
CID 71540003
sodium;7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid;hydride
CID 173053035
3-[2,3-dimethyl-4-[(5-methyl-2-propyl-1-benzofuran-7-yl)methoxy]phenyl]propanoic acid
CID 90441246
8-[(dibenzylamino)methyl]-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 46933664
4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid?
The IUPAC name of 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid (CID 21163139) is 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid?
The canonical SMILES for 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid is CCCc1c(OCc2ccccc2)ccc2c(=O)cc(CCC(=O)O)oc12.
What is the InChIKey of 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid?
The InChIKey is XFAQXCIQCDEUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O5/c1-2-6-18-20(26-14-15-7-4-3-5-8-15)11-10-17-19(23)13-16(27-22(17)18)9-12-21(24)25/h3-5,7-8,10-11,13H,2,6,9,12,14H2,1H3,(H,24,25).
What are the key properties of 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid?
3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid has a molecular weight of 366.41 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid is sourced from PubChem (CID 21163139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).