2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid

C18H19NO3 — CID 166178722

IUPAC2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2ccc(CO)cc2)c2ccccc21
InChIInChI=1S/C18H19NO3/c20-12-14-7-5-13(6-8-14)10-19-11-15(9-18(21)22)16-3-1-2-4-17(16)19/h1-8,15,20H,9-12H2,(H,21,22)
InChIKeyVAUJBDRBHNRUGS-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.76
Rot. Bonds5

About 2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid

2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 166178722) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid
PubChem CID166178722
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2ccc(CO)cc2)c2ccccc21
InChIInChI=1S/C18H19NO3/c20-12-14-7-5-13(6-8-14)10-19-11-15(9-18(21)22)16-3-1-2-4-17(16)19/h1-8,15,20H,9-12H2,(H,21,22)
InChIKeyVAUJBDRBHNRUGS-UHFFFAOYSA-N
XLogP2.76
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid (CID 166178722) is 2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid is O=C(O)CC1CN(Cc2ccc(CO)cc2)c2ccccc21.
What is the InChIKey of 2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is VAUJBDRBHNRUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-12-14-7-5-13(6-8-14)10-19-11-15(9-18(21)22)16-3-1-2-4-17(16)19/h1-8,15,20H,9-12H2,(H,21,22).
What are the key properties of 2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid?
2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 297.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 166178722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).