1-(3-ethylthiophen-2-yl)-2-phenylethanol

C14H16OS — CID 79975807

IUPAC1-(3-ethylthiophen-2-yl)-2-phenylethanol
SMILESCCc1ccsc1C(O)Cc1ccccc1
InChIInChI=1S/C14H16OS/c1-2-12-8-9-16-14(12)13(15)10-11-6-4-3-5-7-11/h3-9,13,15H,2,10H2,1H3
InChIKeyXWQPGTVJQRIDCR-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.59
Rot. Bonds4

About 1-(3-ethylthiophen-2-yl)-2-phenylethanol

1-(3-ethylthiophen-2-yl)-2-phenylethanol (PubChem CID 79975807) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-2-phenylethanol
PubChem CID79975807
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name1-(3-ethylthiophen-2-yl)-2-phenylethanol
SMILESCCc1ccsc1C(O)Cc1ccccc1
InChIInChI=1S/C14H16OS/c1-2-12-8-9-16-14(12)13(15)10-11-6-4-3-5-7-11/h3-9,13,15H,2,10H2,1H3
InChIKeyXWQPGTVJQRIDCR-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-ethylthiophen-2-yl)-2-phenylethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 79976015
2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 79976014
(1S)-3-amino-1-(3-ethylthiophen-2-yl)propan-1-ol
CID 96854417
1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol
CID 115789383
2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 114982148
N-[(3-ethylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylpropanamide
CID 107032562
2-(dichloromethyl)-3-ethylthiophene
CID 14685355
ethane;3-ethyl-2-propan-2-ylthiophene
CID 153374658
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol
CID 115816341
[1-(3-ethylthiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310241
2,3-diethylthiophene;ethylbenzene;propane
CID 159721610
(3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine
CID 79972493

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-2-phenylethanol?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-2-phenylethanol (CID 79975807) is 1-(3-ethylthiophen-2-yl)-2-phenylethanol.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-2-phenylethanol?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-2-phenylethanol is CCc1ccsc1C(O)Cc1ccccc1.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-2-phenylethanol?
The InChIKey is XWQPGTVJQRIDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-2-12-8-9-16-14(12)13(15)10-11-6-4-3-5-7-11/h3-9,13,15H,2,10H2,1H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-2-phenylethanol?
1-(3-ethylthiophen-2-yl)-2-phenylethanol has a molecular weight of 232.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-2-phenylethanol is sourced from PubChem (CID 79975807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).