4-phenylmethoxy-1H-indole-2-carboxylic acid

C16H13NO3 — CID 2735497

IUPAC4-phenylmethoxy-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(OCc3ccccc3)cccc2[nH]1
InChIInChI=1S/C16H13NO3/c18-16(19)14-9-12-13(17-14)7-4-8-15(12)20-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H,18,19)
InChIKeyGSXFWBDVTDHJFZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.45
Rot. Bonds4

About 4-phenylmethoxy-1H-indole-2-carboxylic acid

4-phenylmethoxy-1H-indole-2-carboxylic acid (PubChem CID 2735497) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-phenylmethoxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-phenylmethoxy-1H-indole-2-carboxylic acid
PubChem CID2735497
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name4-phenylmethoxy-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(OCc3ccccc3)cccc2[nH]1
InChIInChI=1S/C16H13NO3/c18-16(19)14-9-12-13(17-14)7-4-8-15(12)20-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H,18,19)
InChIKeyGSXFWBDVTDHJFZ-UHFFFAOYSA-N
XLogP3.45
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1H-indole-2-carboxylic acid?
The IUPAC name of 4-phenylmethoxy-1H-indole-2-carboxylic acid (CID 2735497) is 4-phenylmethoxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-phenylmethoxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-phenylmethoxy-1H-indole-2-carboxylic acid is O=C(O)c1cc2c(OCc3ccccc3)cccc2[nH]1.
What is the InChIKey of 4-phenylmethoxy-1H-indole-2-carboxylic acid?
The InChIKey is GSXFWBDVTDHJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-16(19)14-9-12-13(17-14)7-4-8-15(12)20-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H,18,19).
What are the key properties of 4-phenylmethoxy-1H-indole-2-carboxylic acid?
4-phenylmethoxy-1H-indole-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 2735497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).