2-methyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid

Name: 2-methyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₈O₂S — CID 15666618

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

IUPAC2-methyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid

SMILESCC(CCCCCc1sccc1CCCc1ccccc1)C(=O)O

InChIInChI=1S/C21H28O2S/c1-17(21(22)23)9-4-2-7-14-20-19(15-16-24-20)13-8-12-18-10-5-3-6-11-18/h3,5-6,10-11,15-17H,2,4,7-9,12-14H2,1H3,(H,22,23)

InChIKeyOWOZZOGNCPJVLM-UHFFFAOYSA-N

MW344.52 g/mol

LogP5.75

Rot. Bonds11

About 2-methyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid

2-methyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid (PubChem CID 15666618) has the molecular formula C₂₁H₂₈O₂S and a molecular weight of 344.52 g/mol. Its IUPAC name is 2-methyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid.

Molecular Properties

Compound Name	2-methyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
PubChem CID	15666618
Molecular Formula	C₂₁H₂₈O₂S
Molecular Weight	344.52 g/mol
Exact Mass	344.18
IUPAC Name	2-methyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
SMILES	CC(CCCCCc1sccc1CCCc1ccccc1)C(=O)O
InChI	InChI=1S/C21H28O2S/c1-17(21(22)23)9-4-2-7-14-20-19(15-16-24-20)13-8-12-18-10-5-3-6-11-18/h3,5-6,10-11,15-17H,2,4,7-9,12-14H2,1H3,(H,22,23)
InChIKey	OWOZZOGNCPJVLM-UHFFFAOYSA-N
XLogP	5.75
TPSA	37.30 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	11
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	344.52
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid?

The IUPAC name of 2-methyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid (CID 15666618) is 2-methyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid.

What is the SMILES notation for 2-methyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid?

The canonical SMILES for 2-methyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid is CC(CCCCCc1sccc1CCCc1ccccc1)C(=O)O.

What is the InChIKey of 2-methyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid?

The InChIKey is OWOZZOGNCPJVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2S/c1-17(21(22)23)9-4-2-7-14-20-19(15-16-24-20)13-8-12-18-10-5-3-6-11-18/h3,5-6,10-11,15-17H,2,4,7-9,12-14H2,1H3,(H,22,23).

What are the key properties of 2-methyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid?

2-methyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid has a molecular weight of 344.52 g/mol, XLogP of 5.75, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid is sourced from PubChem (CID 15666618), 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 15666618 — 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.