2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid

C16H15NO2 — CID 82039136

IUPAC2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc3c(c2)CCN3)cc1
InChIInChI=1S/C16H15NO2/c18-16(19)9-11-1-3-12(4-2-11)13-5-6-15-14(10-13)7-8-17-15/h1-6,10,17H,7-9H2,(H,18,19)
InChIKeySYMPIFVBWMJLEH-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.95
Rot. Bonds3

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

2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid (PubChem CID 82039136) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid
PubChem CID82039136
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc3c(c2)CCN3)cc1
InChIInChI=1S/C16H15NO2/c18-16(19)9-11-1-3-12(4-2-11)13-5-6-15-14(10-13)7-8-17-15/h1-6,10,17H,7-9H2,(H,18,19)
InChIKeySYMPIFVBWMJLEH-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid
CID 39226276
1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid
CID 82039142
5-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indole
CID 63424177
methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate
CID 10888757
N-(2,3-dihydro-1H-indol-5-yl)-2-phenylacetamide
CID 63252775
2-(2,3-dihydro-1H-indol-5-yl)benzoic acid
CID 82039135
4-[[4-(2,3-dihydro-1H-indol-5-yl)phenyl]methyl]morpholine
CID 39233571
4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid
CID 82256904
2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid
CID 39226300
5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole
CID 143690522
3-(2,3-dihydro-1H-indol-5-yl)-3-methylbutanoic acid
CID 116998166
5-(4-propoxyphenyl)-2,3-dihydro-1H-indole
CID 62800943

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid (CID 82039136) is 2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid is O=C(O)Cc1ccc(-c2ccc3c(c2)CCN3)cc1.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid?
The InChIKey is SYMPIFVBWMJLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16(19)9-11-1-3-12(4-2-11)13-5-6-15-14(10-13)7-8-17-15/h1-6,10,17H,7-9H2,(H,18,19).
What are the key properties of 2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid?
2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid is sourced from PubChem (CID 82039136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).