2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid

C16H12ClNO2 — CID 22485718

IUPAC2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c2ccc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C16H12ClNO2/c17-13-4-1-10(2-5-13)11-3-6-15-14(7-11)12(9-18-15)8-16(19)20/h1-7,9,18H,8H2,(H,19,20)
InChIKeyBDZJIRTZXLJDPY-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.12
Rot. Bonds3

About 2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid

2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid (PubChem CID 22485718) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
PubChem CID22485718
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c2ccc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C16H12ClNO2/c17-13-4-1-10(2-5-13)11-3-6-15-14(7-11)12(9-18-15)8-16(19)20/h1-7,9,18H,8H2,(H,19,20)
InChIKeyBDZJIRTZXLJDPY-UHFFFAOYSA-N
XLogP4.12
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 131953217
5-(4-chlorophenyl)-1H-indole-3-carboxylic acid
CID 82306175
2-[5-(3,5-dimethylphenyl)-1H-indol-3-yl]acetic acid
CID 95483214
2-(5-chloro-1H-indol-3-yl)acetate
CID 21122976
2-(5-phenyl-1H-indol-3-yl)acetamide
CID 67245791
2-(5-amino-1H-indol-3-yl)acetic acid
CID 24974925
2-[5-(4-bromophenyl)-1H-indol-3-yl]acetic acid;ethanol;ethyl 2-[5-(4-bromophenyl)-1H-indol-3-yl]acetate
CID 167604339
2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 142424412
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
2-(5-cyclohexa-1,5-dien-1-yl-1H-indol-3-yl)acetic acid
CID 167159476
oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine
CID 67816242

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid (CID 22485718) is 2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid is O=C(O)Cc1c[nH]c2ccc(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is BDZJIRTZXLJDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c17-13-4-1-10(2-5-13)11-3-6-15-14(7-11)12(9-18-15)8-16(19)20/h1-7,9,18H,8H2,(H,19,20).
What are the key properties of 2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid?
2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 285.73 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 22485718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).