3-chloro-4-[(2-phenyl-1H-indol-5-yl)oxy]benzoic acid

C21H14ClNO3 — CID 11793101

IUPAC3-chloro-4-[(2-phenyl-1H-indol-5-yl)oxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc3[nH]c(-c4ccccc4)cc3c2)c(Cl)c1
InChIInChI=1S/C21H14ClNO3/c22-17-11-14(21(24)25)6-9-20(17)26-16-7-8-18-15(10-16)12-19(23-18)13-4-2-1-3-5-13/h1-12,23H,(H,24,25)
InChIKeyGIBYDLJAUCTZHJ-UHFFFAOYSA-N
MW363.80 g/mol
LogP5.98
Rot. Bonds4

About 3-chloro-4-[(2-phenyl-1H-indol-5-yl)oxy]benzoic acid

3-chloro-4-[(2-phenyl-1H-indol-5-yl)oxy]benzoic acid (PubChem CID 11793101) has the molecular formula C21H14ClNO3 and a molecular weight of 363.80 g/mol. Its IUPAC name is 3-chloro-4-[(2-phenyl-1H-indol-5-yl)oxy]benzoic acid.

Molecular Properties

Compound Name3-chloro-4-[(2-phenyl-1H-indol-5-yl)oxy]benzoic acid
PubChem CID11793101
Molecular FormulaC21H14ClNO3
Molecular Weight363.80 g/mol
Exact Mass363.07
IUPAC Name3-chloro-4-[(2-phenyl-1H-indol-5-yl)oxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc3[nH]c(-c4ccccc4)cc3c2)c(Cl)c1
InChIInChI=1S/C21H14ClNO3/c22-17-11-14(21(24)25)6-9-20(17)26-16-7-8-18-15(10-16)12-19(23-18)13-4-2-1-3-5-13/h1-12,23H,(H,24,25)
InChIKeyGIBYDLJAUCTZHJ-UHFFFAOYSA-N
XLogP5.98
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.80
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[(2-phenyl-1H-indol-5-yl)oxy]benzonitrile
CID 10831330
1-(2-phenyl-1H-indol-5-yl)ethanone
CID 44542857
2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 68839327
3-chloro-4-quinolin-7-yloxybenzoic acid
CID 107314076
2-[3-chloro-4-(3,4-dimethoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 68841961
4-(3-bromo-4-fluorophenoxy)-3-chlorobenzoic acid
CID 83234294
3-chloro-4-(3-cyanophenoxy)benzoic acid
CID 81151688
2-(2-hydroxyphenyl)-1H-indole-5-carboxylic acid
CID 54131699
3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride
CID 54593353
2-phenyl-1H-indole-6-carboxamide
CID 69443786
3-chloro-4-[1-[(4-methoxyphenyl)methyl]indol-5-yl]oxybenzoic acid
CID 10787582
3-chloro-4-naphthalen-2-yloxybenzenecarbothioamide
CID 63519460

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-phenyl-1H-indol-5-yl)oxy]benzoic acid?
The IUPAC name of 3-chloro-4-[(2-phenyl-1H-indol-5-yl)oxy]benzoic acid (CID 11793101) is 3-chloro-4-[(2-phenyl-1H-indol-5-yl)oxy]benzoic acid.
What is the SMILES notation for 3-chloro-4-[(2-phenyl-1H-indol-5-yl)oxy]benzoic acid?
The canonical SMILES for 3-chloro-4-[(2-phenyl-1H-indol-5-yl)oxy]benzoic acid is O=C(O)c1ccc(Oc2ccc3[nH]c(-c4ccccc4)cc3c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(2-phenyl-1H-indol-5-yl)oxy]benzoic acid?
The InChIKey is GIBYDLJAUCTZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO3/c22-17-11-14(21(24)25)6-9-20(17)26-16-7-8-18-15(10-16)12-19(23-18)13-4-2-1-3-5-13/h1-12,23H,(H,24,25).
What are the key properties of 3-chloro-4-[(2-phenyl-1H-indol-5-yl)oxy]benzoic acid?
3-chloro-4-[(2-phenyl-1H-indol-5-yl)oxy]benzoic acid has a molecular weight of 363.80 g/mol, XLogP of 5.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-phenyl-1H-indol-5-yl)oxy]benzoic acid is sourced from PubChem (CID 11793101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).