3-(1H-indol-5-yl)benzoic acid

C15H11NO2 — CID 4135877

IUPAC3-(1H-indol-5-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C15H11NO2/c17-15(18)13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h1-9,16H,(H,17,18)
InChIKeyVKHHKQSCGXEKEE-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.53
Rot. Bonds2

About 3-(1H-indol-5-yl)benzoic acid

3-(1H-indol-5-yl)benzoic acid (PubChem CID 4135877) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)benzoic acid.

Molecular Properties

Compound Name3-(1H-indol-5-yl)benzoic acid
PubChem CID4135877
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name3-(1H-indol-5-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C15H11NO2/c17-15(18)13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h1-9,16H,(H,17,18)
InChIKeyVKHHKQSCGXEKEE-UHFFFAOYSA-N
XLogP3.53
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)benzoic acid?
The IUPAC name of 3-(1H-indol-5-yl)benzoic acid (CID 4135877) is 3-(1H-indol-5-yl)benzoic acid.
What is the SMILES notation for 3-(1H-indol-5-yl)benzoic acid?
The canonical SMILES for 3-(1H-indol-5-yl)benzoic acid is O=C(O)c1cccc(-c2ccc3[nH]ccc3c2)c1.
What is the InChIKey of 3-(1H-indol-5-yl)benzoic acid?
The InChIKey is VKHHKQSCGXEKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-15(18)13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h1-9,16H,(H,17,18).
What are the key properties of 3-(1H-indol-5-yl)benzoic acid?
3-(1H-indol-5-yl)benzoic acid has a molecular weight of 237.26 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)benzoic acid is sourced from PubChem (CID 4135877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).