5-phenoxy-1-prop-2-enylindole-2-carboxylic acid

C18H15NO3 — CID 83968505

IUPAC5-phenoxy-1-prop-2-enylindole-2-carboxylic acid
SMILESC=CCn1c(C(=O)O)cc2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C18H15NO3/c1-2-10-19-16-9-8-15(22-14-6-4-3-5-7-14)11-13(16)12-17(19)18(20)21/h2-9,11-12H,1,10H2,(H,20,21)
InChIKeyWQQLHSICBAZUBL-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.32
Rot. Bonds5

About 5-phenoxy-1-prop-2-enylindole-2-carboxylic acid

5-phenoxy-1-prop-2-enylindole-2-carboxylic acid (PubChem CID 83968505) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-phenoxy-1-prop-2-enylindole-2-carboxylic acid.

Molecular Properties

Compound Name5-phenoxy-1-prop-2-enylindole-2-carboxylic acid
PubChem CID83968505
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name5-phenoxy-1-prop-2-enylindole-2-carboxylic acid
SMILESC=CCn1c(C(=O)O)cc2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C18H15NO3/c1-2-10-19-16-9-8-15(22-14-6-4-3-5-7-14)11-13(16)12-17(19)18(20)21/h2-9,11-12H,1,10H2,(H,20,21)
InChIKeyWQQLHSICBAZUBL-UHFFFAOYSA-N
XLogP4.32
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-methoxy-1-prop-2-enylindole-2-carboxylate
CID 71427681
2-[5-hydroxy-2-(4-phenoxybenzoyl)indol-1-yl]acetic acid
CID 44815450
5-ethoxy-1-ethylindole-2-carboxylic acid
CID 69018922
ethyl 1-prop-2-enylindole-2-carboxylate
CID 10398929
2-(2-oxo-6-phenoxy-1,3-benzothiazol-3-yl)acetic acid
CID 13097111
5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid
CID 168741031
3-(1-prop-2-enylindole-2-carbonyl)-1,3-oxazolidin-2-one
CID 16681535
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43980130
1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid
CID 82251488
5-(2-phenylethyl)-1-prop-2-enylpyrrole-2-carboxylic acid
CID 100793430
phenoxybenzene;prop-2-enoic acid
CID 66735010
N-[2-(diethylamino)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide
CID 7276879

Frequently Asked Questions

What is the IUPAC name of 5-phenoxy-1-prop-2-enylindole-2-carboxylic acid?
The IUPAC name of 5-phenoxy-1-prop-2-enylindole-2-carboxylic acid (CID 83968505) is 5-phenoxy-1-prop-2-enylindole-2-carboxylic acid.
What is the SMILES notation for 5-phenoxy-1-prop-2-enylindole-2-carboxylic acid?
The canonical SMILES for 5-phenoxy-1-prop-2-enylindole-2-carboxylic acid is C=CCn1c(C(=O)O)cc2cc(Oc3ccccc3)ccc21.
What is the InChIKey of 5-phenoxy-1-prop-2-enylindole-2-carboxylic acid?
The InChIKey is WQQLHSICBAZUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-10-19-16-9-8-15(22-14-6-4-3-5-7-14)11-13(16)12-17(19)18(20)21/h2-9,11-12H,1,10H2,(H,20,21).
What are the key properties of 5-phenoxy-1-prop-2-enylindole-2-carboxylic acid?
5-phenoxy-1-prop-2-enylindole-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxy-1-prop-2-enylindole-2-carboxylic acid is sourced from PubChem (CID 83968505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).