(5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate

Name: (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₆O₃ — CID 91083386

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate

SMILESCCC(=O)OC1CCc2c1ccc(O)c2C

InChIInChI=1S/C13H16O3/c1-3-13(15)16-12-7-5-9-8(2)11(14)6-4-10(9)12/h4,6,12,14H,3,5,7H2,1-2H3

InChIKeySXJQETVXQAEWNV-UHFFFAOYSA-N

MW220.27 g/mol

LogP2.64

Rot. Bonds2

About (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate

(5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate (PubChem CID 91083386) has the molecular formula C₁₃H₁₆O₃ and a molecular weight of 220.27 g/mol. Its IUPAC name is (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate.

Molecular Properties

Compound Name	(5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate
PubChem CID	91083386
Molecular Formula	C₁₃H₁₆O₃
Molecular Weight	220.27 g/mol
Exact Mass	220.11
IUPAC Name	(5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate
SMILES	CCC(=O)OC1CCc2c1ccc(O)c2C
InChI	InChI=1S/C13H16O3/c1-3-13(15)16-12-7-5-9-8(2)11(14)6-4-10(9)12/h4,6,12,14H,3,5,7H2,1-2H3
InChIKey	SXJQETVXQAEWNV-UHFFFAOYSA-N
XLogP	2.64
TPSA	46.53 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.27
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate?

The IUPAC name of (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate (CID 91083386) is (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate.

What is the SMILES notation for (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate?

The canonical SMILES for (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate is CCC(=O)OC1CCc2c1ccc(O)c2C.

What is the InChIKey of (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate?

The InChIKey is SXJQETVXQAEWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-13(15)16-12-7-5-9-8(2)11(14)6-4-10(9)12/h4,6,12,14H,3,5,7H2,1-2H3.

What are the key properties of (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate?

(5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate has a molecular weight of 220.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate is sourced from PubChem (CID 91083386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 91083386 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.