2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenoxy]propanoic acid

C18H19NO3 — CID 82039411

IUPAC2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenoxy]propanoic acid
SMILESCC(Oc1ccc(-c2ccc3c(c2)CCN3C)cc1)C(=O)O
InChIInChI=1S/C18H19NO3/c1-12(18(20)21)22-16-6-3-13(4-7-16)14-5-8-17-15(11-14)9-10-19(17)2/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)
InChIKeyKVGLYSYYKBGMHI-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.20
Rot. Bonds4

About 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenoxy]propanoic acid

2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenoxy]propanoic acid (PubChem CID 82039411) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenoxy]propanoic acid
PubChem CID82039411
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenoxy]propanoic acid
SMILESCC(Oc1ccc(-c2ccc3c(c2)CCN3C)cc1)C(=O)O
InChIInChI=1S/C18H19NO3/c1-12(18(20)21)22-16-6-3-13(4-7-16)14-5-8-17-15(11-14)9-10-19(17)2/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)
InChIKeyKVGLYSYYKBGMHI-UHFFFAOYSA-N
XLogP3.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenoxy]propanoic acid?
The IUPAC name of 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenoxy]propanoic acid (CID 82039411) is 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenoxy]propanoic acid?
The canonical SMILES for 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenoxy]propanoic acid is CC(Oc1ccc(-c2ccc3c(c2)CCN3C)cc1)C(=O)O.
What is the InChIKey of 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenoxy]propanoic acid?
The InChIKey is KVGLYSYYKBGMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12(18(20)21)22-16-6-3-13(4-7-16)14-5-8-17-15(11-14)9-10-19(17)2/h3-8,11-12H,9-10H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenoxy]propanoic acid?
2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenoxy]propanoic acid has a molecular weight of 297.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenoxy]propanoic acid is sourced from PubChem (CID 82039411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).