4-(1H-indol-5-yloxy)benzoic acid

C15H11NO3 — CID 129206286

IUPAC4-(1H-indol-5-yloxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C15H11NO3/c17-15(18)10-1-3-12(4-2-10)19-13-5-6-14-11(9-13)7-8-16-14/h1-9,16H,(H,17,18)
InChIKeyWEPDILIJJSINMD-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.66
Rot. Bonds3

About 4-(1H-indol-5-yloxy)benzoic acid

4-(1H-indol-5-yloxy)benzoic acid (PubChem CID 129206286) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-(1H-indol-5-yloxy)benzoic acid.

Molecular Properties

Compound Name4-(1H-indol-5-yloxy)benzoic acid
PubChem CID129206286
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name4-(1H-indol-5-yloxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C15H11NO3/c17-15(18)10-1-3-12(4-2-10)19-13-5-6-14-11(9-13)7-8-16-14/h1-9,16H,(H,17,18)
InChIKeyWEPDILIJJSINMD-UHFFFAOYSA-N
XLogP3.66
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxyphenoxy)-1H-indole
CID 19042832
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
4-[(1H-indole-5-carbonylamino)methyl]benzoic acid
CID 141342691
methyl 2-benzamido-4-(1H-indol-5-yloxy)benzoate
CID 71169305
N-[4-phenoxy-2-(propan-2-ylcarbamoyl)phenyl]-1H-indole-5-carboxamide
CID 11495294
ethane;1H-indole-6-carboxylic acid
CID 142472960
5-propan-2-yloxy-1H-indole
CID 16738054
4-phenoxybenzoic acid;hydrochloride
CID 70385625
3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
tert-butyl formate;1-(1H-indol-5-yl)ethanone
CID 174513916
4-(4-acetylphenoxy)benzoic acid
CID 60723234
3-(1H-indol-5-ylmethyl)benzoic acid
CID 53345393

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-yloxy)benzoic acid?
The IUPAC name of 4-(1H-indol-5-yloxy)benzoic acid (CID 129206286) is 4-(1H-indol-5-yloxy)benzoic acid.
What is the SMILES notation for 4-(1H-indol-5-yloxy)benzoic acid?
The canonical SMILES for 4-(1H-indol-5-yloxy)benzoic acid is O=C(O)c1ccc(Oc2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 4-(1H-indol-5-yloxy)benzoic acid?
The InChIKey is WEPDILIJJSINMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-15(18)10-1-3-12(4-2-10)19-13-5-6-14-11(9-13)7-8-16-14/h1-9,16H,(H,17,18).
What are the key properties of 4-(1H-indol-5-yloxy)benzoic acid?
4-(1H-indol-5-yloxy)benzoic acid has a molecular weight of 253.26 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-yloxy)benzoic acid is sourced from PubChem (CID 129206286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).