2-(3-bromo-1-phenylindol-2-yl)acetic acid

C16H12BrNO2 — CID 70874542

IUPAC2-(3-bromo-1-phenylindol-2-yl)acetic acid
SMILESO=C(O)Cc1c(Br)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C16H12BrNO2/c17-16-12-8-4-5-9-13(12)18(14(16)10-15(19)20)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)
InChIKeyVWVBTGGNCHZFEP-UHFFFAOYSA-N
MW330.18 g/mol
LogP4.02
Rot. Bonds3

About 2-(3-bromo-1-phenylindol-2-yl)acetic acid

2-(3-bromo-1-phenylindol-2-yl)acetic acid (PubChem CID 70874542) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-(3-bromo-1-phenylindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-1-phenylindol-2-yl)acetic acid
PubChem CID70874542
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name2-(3-bromo-1-phenylindol-2-yl)acetic acid
SMILESO=C(O)Cc1c(Br)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C16H12BrNO2/c17-16-12-8-4-5-9-13(12)18(14(16)10-15(19)20)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)
InChIKeyVWVBTGGNCHZFEP-UHFFFAOYSA-N
XLogP4.02
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-1-phenylindole-2-carboxylic acid
CID 102533933
2-(9-phenylcarbazol-4-yl)acetic acid
CID 154200316
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443
2-(3-chloro-1-methylindol-2-yl)acetic acid
CID 83891410
2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid
CID 83860122
2-(carboxymethyl)-1-ethylindole-3-carboxylic acid
CID 13163081
5,7-diphenylquinolino[3,2-b]acridine-12,14-dione
CID 146333918
ethyl 2-(2-methyl-1-phenylindol-3-yl)acetate
CID 10541758
ethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate
CID 170071224
3-bromo-2-cyanoindole-1-carboxylic acid
CID 90720047
3-bromo-1-methylindole-2-carboxylic acid
CID 15290332
12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene
CID 163799671

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-phenylindol-2-yl)acetic acid?
The IUPAC name of 2-(3-bromo-1-phenylindol-2-yl)acetic acid (CID 70874542) is 2-(3-bromo-1-phenylindol-2-yl)acetic acid.
What is the SMILES notation for 2-(3-bromo-1-phenylindol-2-yl)acetic acid?
The canonical SMILES for 2-(3-bromo-1-phenylindol-2-yl)acetic acid is O=C(O)Cc1c(Br)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-(3-bromo-1-phenylindol-2-yl)acetic acid?
The InChIKey is VWVBTGGNCHZFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c17-16-12-8-4-5-9-13(12)18(14(16)10-15(19)20)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20).
What are the key properties of 2-(3-bromo-1-phenylindol-2-yl)acetic acid?
2-(3-bromo-1-phenylindol-2-yl)acetic acid has a molecular weight of 330.18 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-phenylindol-2-yl)acetic acid is sourced from PubChem (CID 70874542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).