2-[1-[(3-cyclopentyl-4-hydroxyphenyl)methyl]-3-methylindol-5-yl]oxyacetic acid

C23H25NO4 — CID 118726613

IUPAC2-[1-[(3-cyclopentyl-4-hydroxyphenyl)methyl]-3-methylindol-5-yl]oxyacetic acid
SMILESCc1cn(Cc2ccc(O)c(C3CCCC3)c2)c2ccc(OCC(=O)O)cc12
InChIInChI=1S/C23H25NO4/c1-15-12-24(21-8-7-18(11-19(15)21)28-14-23(26)27)13-16-6-9-22(25)20(10-16)17-4-2-3-5-17/h6-12,17,25H,2-5,13-14H2,1H3,(H,26,27)
InChIKeyYFOCJSIVBNCBRF-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.82
Rot. Bonds6

About 2-[1-[(3-cyclopentyl-4-hydroxyphenyl)methyl]-3-methylindol-5-yl]oxyacetic acid

2-[1-[(3-cyclopentyl-4-hydroxyphenyl)methyl]-3-methylindol-5-yl]oxyacetic acid (PubChem CID 118726613) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[1-[(3-cyclopentyl-4-hydroxyphenyl)methyl]-3-methylindol-5-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(3-cyclopentyl-4-hydroxyphenyl)methyl]-3-methylindol-5-yl]oxyacetic acid
PubChem CID118726613
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name2-[1-[(3-cyclopentyl-4-hydroxyphenyl)methyl]-3-methylindol-5-yl]oxyacetic acid
SMILESCc1cn(Cc2ccc(O)c(C3CCCC3)c2)c2ccc(OCC(=O)O)cc12
InChIInChI=1S/C23H25NO4/c1-15-12-24(21-8-7-18(11-19(15)21)28-14-23(26)27)13-16-6-9-22(25)20(10-16)17-4-2-3-5-17/h6-12,17,25H,2-5,13-14H2,1H3,(H,26,27)
InChIKeyYFOCJSIVBNCBRF-UHFFFAOYSA-N
XLogP4.82
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-cyclopentyl-4-hydroxyphenyl)methyl]-3-methylindol-5-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(3-cyclopentyl-4-hydroxyphenyl)methyl]-3-methylindol-5-yl]oxyacetic acid (CID 118726613) is 2-[1-[(3-cyclopentyl-4-hydroxyphenyl)methyl]-3-methylindol-5-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(3-cyclopentyl-4-hydroxyphenyl)methyl]-3-methylindol-5-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(3-cyclopentyl-4-hydroxyphenyl)methyl]-3-methylindol-5-yl]oxyacetic acid is Cc1cn(Cc2ccc(O)c(C3CCCC3)c2)c2ccc(OCC(=O)O)cc12.
What is the InChIKey of 2-[1-[(3-cyclopentyl-4-hydroxyphenyl)methyl]-3-methylindol-5-yl]oxyacetic acid?
The InChIKey is YFOCJSIVBNCBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-15-12-24(21-8-7-18(11-19(15)21)28-14-23(26)27)13-16-6-9-22(25)20(10-16)17-4-2-3-5-17/h6-12,17,25H,2-5,13-14H2,1H3,(H,26,27).
What are the key properties of 2-[1-[(3-cyclopentyl-4-hydroxyphenyl)methyl]-3-methylindol-5-yl]oxyacetic acid?
2-[1-[(3-cyclopentyl-4-hydroxyphenyl)methyl]-3-methylindol-5-yl]oxyacetic acid has a molecular weight of 379.46 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-cyclopentyl-4-hydroxyphenyl)methyl]-3-methylindol-5-yl]oxyacetic acid is sourced from PubChem (CID 118726613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).