2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol

C14H16OS — CID 62388216

IUPAC2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1cccc(CC(O)c2sccc2C)c1
InChIInChI=1S/C14H16OS/c1-10-4-3-5-12(8-10)9-13(15)14-11(2)6-7-16-14/h3-8,13,15H,9H2,1-2H3
InChIKeySYTBJOQJUCFVPL-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.64
Rot. Bonds3

About 2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol

2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol (PubChem CID 62388216) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol
PubChem CID62388216
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1cccc(CC(O)c2sccc2C)c1
InChIInChI=1S/C14H16OS/c1-10-4-3-5-12(8-10)9-13(15)14-11(2)6-7-16-14/h3-8,13,15H,9H2,1-2H3
InChIKeySYTBJOQJUCFVPL-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 55006586
1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea
CID 90496950
1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol
CID 79987986
1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine
CID 63798481
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33420120
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol
CID 79996774
1-(3-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62608058
1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol
CID 105077964
2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 79976015
1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol
CID 114028154
1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol
CID 81488822

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol (CID 62388216) is 2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol is Cc1cccc(CC(O)c2sccc2C)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol?
The InChIKey is SYTBJOQJUCFVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-10-4-3-5-12(8-10)9-13(15)14-11(2)6-7-16-14/h3-8,13,15H,9H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol?
2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol has a molecular weight of 232.35 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 62388216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).