1-(3-propoxyphenyl)indole-4-carboxylic acid

C18H17NO3 — CID 178035433

IUPAC1-(3-propoxyphenyl)indole-4-carboxylic acid
SMILESCCCOc1cccc(-n2ccc3c(C(=O)O)cccc32)c1
InChIInChI=1S/C18H17NO3/c1-2-11-22-14-6-3-5-13(12-14)19-10-9-15-16(18(20)21)7-4-8-17(15)19/h3-10,12H,2,11H2,1H3,(H,20,21)
InChIKeyRSKBDZFBQAPKBR-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.12
Rot. Bonds5

About 1-(3-propoxyphenyl)indole-4-carboxylic acid

1-(3-propoxyphenyl)indole-4-carboxylic acid (PubChem CID 178035433) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(3-propoxyphenyl)indole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-propoxyphenyl)indole-4-carboxylic acid
PubChem CID178035433
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-(3-propoxyphenyl)indole-4-carboxylic acid
SMILESCCCOc1cccc(-n2ccc3c(C(=O)O)cccc32)c1
InChIInChI=1S/C18H17NO3/c1-2-11-22-14-6-3-5-13(12-14)19-10-9-15-16(18(20)21)7-4-8-17(15)19/h3-10,12H,2,11H2,1H3,(H,20,21)
InChIKeyRSKBDZFBQAPKBR-UHFFFAOYSA-N
XLogP4.12
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propoxyethyl)indole-4-carboxylic acid
CID 106453856
2-phenoxy-3-propoxybenzoic acid
CID 67826110
2-(3-propoxyanilino)benzoic acid
CID 154130973
2-(3-propoxybenzoyl)oxybenzoic acid
CID 54854800
3-[3-(2-phenylethyl)-1-(3-propoxyphenyl)indol-5-yl]propanoic acid
CID 59317749
3-propoxybenzamide
CID 22311435
2-amino-5-propoxybenzoic acid
CID 12719187
(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone
CID 17175869
2-methyl-1-(3-propoxybenzoyl)indole-3-carboxylic acid
CID 91690627
2-methoxy-5-propoxybenzoic acid
CID 82265622
acetyl 3-propoxybenzoate
CID 54339605
1-aminoindole-4-carboxylic acid
CID 141215789

Frequently Asked Questions

What is the IUPAC name of 1-(3-propoxyphenyl)indole-4-carboxylic acid?
The IUPAC name of 1-(3-propoxyphenyl)indole-4-carboxylic acid (CID 178035433) is 1-(3-propoxyphenyl)indole-4-carboxylic acid.
What is the SMILES notation for 1-(3-propoxyphenyl)indole-4-carboxylic acid?
The canonical SMILES for 1-(3-propoxyphenyl)indole-4-carboxylic acid is CCCOc1cccc(-n2ccc3c(C(=O)O)cccc32)c1.
What is the InChIKey of 1-(3-propoxyphenyl)indole-4-carboxylic acid?
The InChIKey is RSKBDZFBQAPKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-11-22-14-6-3-5-13(12-14)19-10-9-15-16(18(20)21)7-4-8-17(15)19/h3-10,12H,2,11H2,1H3,(H,20,21).
What are the key properties of 1-(3-propoxyphenyl)indole-4-carboxylic acid?
1-(3-propoxyphenyl)indole-4-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propoxyphenyl)indole-4-carboxylic acid is sourced from PubChem (CID 178035433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).