3-[5-[[4-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid

C24H22N2O3 — CID 134806065

IUPAC3-[5-[[4-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
SMILESCc1ccccc1-c1ccc(COc2ccc3c(cnn3CCC(=O)O)c2)cc1
InChIInChI=1S/C24H22N2O3/c1-17-4-2-3-5-22(17)19-8-6-18(7-9-19)16-29-21-10-11-23-20(14-21)15-25-26(23)13-12-24(27)28/h2-11,14-15H,12-13,16H2,1H3,(H,27,28)
InChIKeyWUKLDSNHMLWJCB-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.07
Rot. Bonds7

About 3-[5-[[4-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid

3-[5-[[4-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid (PubChem CID 134806065) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-[5-[[4-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[[4-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
PubChem CID134806065
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name3-[5-[[4-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
SMILESCc1ccccc1-c1ccc(COc2ccc3c(cnn3CCC(=O)O)c2)cc1
InChIInChI=1S/C24H22N2O3/c1-17-4-2-3-5-22(17)19-8-6-18(7-9-19)16-29-21-10-11-23-20(14-21)15-25-26(23)13-12-24(27)28/h2-11,14-15H,12-13,16H2,1H3,(H,27,28)
InChIKeyWUKLDSNHMLWJCB-UHFFFAOYSA-N
XLogP5.07
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-Methoxyphenyl)-1-indazolyl]acetic acid methyl ester
CID 49835877
4-[2-(2-Naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]butanoic acid
CID 23017362
Methyl 2-[3-(2-fluoro-5-phenylmethoxyphenyl)indazol-1-yl]acetate
CID 73506474
Methyl 2-[3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]indazol-1-yl]acetate
CID 73507350
Methyl 2-[3-(2-fluoro-3-phenylmethoxyphenyl)indazol-1-yl]acetate
CID 73506263
Methyl 2-[3-(3-ethoxyphenyl)indazol-1-yl]acetate
CID 73505630
Methyl 2-[3-(3-phenoxyphenyl)indazol-1-yl]acetate
CID 73505832
Methyl 2-[3-[3-(2-phenylethoxy)phenyl]indazol-1-yl]acetate
CID 73506046
Methyl 2-[3-[3-(cyclohexylmethoxy)phenyl]indazol-1-yl]acetate
CID 73506047
Methyl 2-[3-[3-(2-methylpropoxy)phenyl]indazol-1-yl]acetate
CID 73506048
Methyl 2-[3-[3-(2-cyclohexylethoxy)phenyl]indazol-1-yl]acetate
CID 73506260
Methyl 2-[3-[3-(3-methylbutoxy)phenyl]indazol-1-yl]acetate
CID 73506261

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[4-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[[4-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid (CID 134806065) is 3-[5-[[4-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[[4-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[[4-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid is Cc1ccccc1-c1ccc(COc2ccc3c(cnn3CCC(=O)O)c2)cc1.
What is the InChIKey of 3-[5-[[4-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid?
The InChIKey is WUKLDSNHMLWJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-17-4-2-3-5-22(17)19-8-6-18(7-9-19)16-29-21-10-11-23-20(14-21)15-25-26(23)13-12-24(27)28/h2-11,14-15H,12-13,16H2,1H3,(H,27,28).
What are the key properties of 3-[5-[[4-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid?
3-[5-[[4-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid has a molecular weight of 386.45 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[4-(2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid is sourced from PubChem (CID 134806065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).