1-(4-butylphenyl)-1-thiophen-2-ylethanol

C16H20OS — CID 58735357

IUPAC1-(4-butylphenyl)-1-thiophen-2-ylethanol
SMILESCCCCc1ccc(C(C)(O)c2cccs2)cc1
InChIInChI=1S/C16H20OS/c1-3-4-6-13-8-10-14(11-9-13)16(2,17)15-7-5-12-18-15/h5,7-12,17H,3-4,6H2,1-2H3
InChIKeyUJYRTIJRMNGWQE-UHFFFAOYSA-N
MW260.40 g/mol
LogP4.35
Rot. Bonds5

About 1-(4-butylphenyl)-1-thiophen-2-ylethanol

1-(4-butylphenyl)-1-thiophen-2-ylethanol (PubChem CID 58735357) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-(4-butylphenyl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(4-butylphenyl)-1-thiophen-2-ylethanol
PubChem CID58735357
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name1-(4-butylphenyl)-1-thiophen-2-ylethanol
SMILESCCCCc1ccc(C(C)(O)c2cccs2)cc1
InChIInChI=1S/C16H20OS/c1-3-4-6-13-8-10-14(11-9-13)16(2,17)15-7-5-12-18-15/h5,7-12,17H,3-4,6H2,1-2H3
InChIKeyUJYRTIJRMNGWQE-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-phenyl-1-thiophen-2-ylethanol
CID 674763
1-(4-heptylphenyl)-1-phenylethanol
CID 59545473
1-(furan-3-yl)-1-thiophen-2-ylethanol
CID 63947725
1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol
CID 63220767
3-amino-3-(4-butylphenyl)butan-1-ol
CID 112513147
1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol
CID 63220679
(1S)-1-amino-1-thiophen-2-ylbutan-1-ol
CID 67452361
2-(6-methyltridecan-6-yl)thiophene
CID 139342178
1-tert-butyl-4-undecylbenzene
CID 162402478
1-butyl-4-(triethoxymethyl)benzene
CID 166447467
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-thiophen-2-ylethanol
CID 107287122

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-1-thiophen-2-ylethanol?
The IUPAC name of 1-(4-butylphenyl)-1-thiophen-2-ylethanol (CID 58735357) is 1-(4-butylphenyl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 1-(4-butylphenyl)-1-thiophen-2-ylethanol?
The canonical SMILES for 1-(4-butylphenyl)-1-thiophen-2-ylethanol is CCCCc1ccc(C(C)(O)c2cccs2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-1-thiophen-2-ylethanol?
The InChIKey is UJYRTIJRMNGWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20OS/c1-3-4-6-13-8-10-14(11-9-13)16(2,17)15-7-5-12-18-15/h5,7-12,17H,3-4,6H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-1-thiophen-2-ylethanol?
1-(4-butylphenyl)-1-thiophen-2-ylethanol has a molecular weight of 260.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 58735357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).