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

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

C₂₀H₂₆O₂S — CID 15666577

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

IUPAC7-[2-(3-phenylpropyl)thiophen-3-yl]heptanoic acid

SMILESO=C(O)CCCCCCc1ccsc1CCCc1ccccc1

InChIInChI=1S/C20H26O2S/c21-20(22)14-7-2-1-6-12-18-15-16-23-19(18)13-8-11-17-9-4-3-5-10-17/h3-5,9-10,15-16H,1-2,6-8,11-14H2,(H,21,22)

InChIKeyQZWPFJDJIUNWMQ-UHFFFAOYSA-N

MW330.49 g/mol

LogP5.50

Rot. Bonds11

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

7-[2-(3-phenylpropyl)thiophen-3-yl]heptanoic acid (PubChem CID 15666577) has the molecular formula C₂₀H₂₆O₂S and a molecular weight of 330.49 g/mol. Its IUPAC name is 7-[2-(3-phenylpropyl)thiophen-3-yl]heptanoic acid.

Molecular Properties

Compound Name	7-[2-(3-phenylpropyl)thiophen-3-yl]heptanoic acid
PubChem CID	15666577
Molecular Formula	C₂₀H₂₆O₂S
Molecular Weight	330.49 g/mol
Exact Mass	330.17
IUPAC Name	7-[2-(3-phenylpropyl)thiophen-3-yl]heptanoic acid
SMILES	O=C(O)CCCCCCc1ccsc1CCCc1ccccc1
InChI	InChI=1S/C20H26O2S/c21-20(22)14-7-2-1-6-12-18-15-16-23-19(18)13-8-11-17-9-4-3-5-10-17/h3-5,9-10,15-16H,1-2,6-8,11-14H2,(H,21,22)
InChIKey	QZWPFJDJIUNWMQ-UHFFFAOYSA-N
XLogP	5.50
TPSA	37.30 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	11
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	330.49
LogP ≤ 5	5.50
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 7-[2-(3-phenylpropyl)thiophen-3-yl]heptanoic acid?

The IUPAC name of 7-[2-(3-phenylpropyl)thiophen-3-yl]heptanoic acid (CID 15666577) is 7-[2-(3-phenylpropyl)thiophen-3-yl]heptanoic acid.

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

The canonical SMILES for 7-[2-(3-phenylpropyl)thiophen-3-yl]heptanoic acid is O=C(O)CCCCCCc1ccsc1CCCc1ccccc1.

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

The InChIKey is QZWPFJDJIUNWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2S/c21-20(22)14-7-2-1-6-12-18-15-16-23-19(18)13-8-11-17-9-4-3-5-10-17/h3-5,9-10,15-16H,1-2,6-8,11-14H2,(H,21,22).

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

7-[2-(3-phenylpropyl)thiophen-3-yl]heptanoic acid has a molecular weight of 330.49 g/mol, XLogP of 5.50, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(3-phenylpropyl)thiophen-3-yl]heptanoic acid is sourced from PubChem (CID 15666577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 15666577 — identifiers, structure, computed properties (public domain)

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