4-(5-butyl-4-phenylthiophen-2-yl)phenol

C20H20OS — CID 11312874

IUPAC4-(5-butyl-4-phenylthiophen-2-yl)phenol
SMILESCCCCc1sc(-c2ccc(O)cc2)cc1-c1ccccc1
InChIInChI=1S/C20H20OS/c1-2-3-9-19-18(15-7-5-4-6-8-15)14-20(22-19)16-10-12-17(21)13-11-16/h4-8,10-14,21H,2-3,9H2,1H3
InChIKeyOHOPFVNLCZWUAL-UHFFFAOYSA-N
MW308.45 g/mol
LogP6.13
Rot. Bonds5

About 4-(5-butyl-4-phenylthiophen-2-yl)phenol

4-(5-butyl-4-phenylthiophen-2-yl)phenol (PubChem CID 11312874) has the molecular formula C20H20OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-(5-butyl-4-phenylthiophen-2-yl)phenol.

Molecular Properties

Compound Name4-(5-butyl-4-phenylthiophen-2-yl)phenol
PubChem CID11312874
Molecular FormulaC20H20OS
Molecular Weight308.45 g/mol
Exact Mass308.12
IUPAC Name4-(5-butyl-4-phenylthiophen-2-yl)phenol
SMILESCCCCc1sc(-c2ccc(O)cc2)cc1-c1ccccc1
InChIInChI=1S/C20H20OS/c1-2-3-9-19-18(15-7-5-4-6-8-15)14-20(22-19)16-10-12-17(21)13-11-16/h4-8,10-14,21H,2-3,9H2,1H3
InChIKeyOHOPFVNLCZWUAL-UHFFFAOYSA-N
XLogP6.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.45
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(5-butyl-4-phenylthiophen-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-butyl-4-phenylthiophen-2-yl)phenol?
The IUPAC name of 4-(5-butyl-4-phenylthiophen-2-yl)phenol (CID 11312874) is 4-(5-butyl-4-phenylthiophen-2-yl)phenol.
What is the SMILES notation for 4-(5-butyl-4-phenylthiophen-2-yl)phenol?
The canonical SMILES for 4-(5-butyl-4-phenylthiophen-2-yl)phenol is CCCCc1sc(-c2ccc(O)cc2)cc1-c1ccccc1.
What is the InChIKey of 4-(5-butyl-4-phenylthiophen-2-yl)phenol?
The InChIKey is OHOPFVNLCZWUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20OS/c1-2-3-9-19-18(15-7-5-4-6-8-15)14-20(22-19)16-10-12-17(21)13-11-16/h4-8,10-14,21H,2-3,9H2,1H3.
What are the key properties of 4-(5-butyl-4-phenylthiophen-2-yl)phenol?
4-(5-butyl-4-phenylthiophen-2-yl)phenol has a molecular weight of 308.45 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-butyl-4-phenylthiophen-2-yl)phenol is sourced from PubChem (CID 11312874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).