1-(4-methoxyphenyl)-1-(2-methylthiophen-3-yl)ethanol

C14H16O2S — CID 102829083

IUPAC1-(4-methoxyphenyl)-1-(2-methylthiophen-3-yl)ethanol
SMILESCOc1ccc(C(C)(O)c2ccsc2C)cc1
InChIInChI=1S/C14H16O2S/c1-10-13(8-9-17-10)14(2,15)11-4-6-12(16-3)7-5-11/h4-9,15H,1-3H3
InChIKeyPEOCNIUJAWQPCW-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.32
Rot. Bonds3

About 1-(4-methoxyphenyl)-1-(2-methylthiophen-3-yl)ethanol

1-(4-methoxyphenyl)-1-(2-methylthiophen-3-yl)ethanol (PubChem CID 102829083) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-(2-methylthiophen-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-(2-methylthiophen-3-yl)ethanol
PubChem CID102829083
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name1-(4-methoxyphenyl)-1-(2-methylthiophen-3-yl)ethanol
SMILESCOc1ccc(C(C)(O)c2ccsc2C)cc1
InChIInChI=1S/C14H16O2S/c1-10-13(8-9-17-10)14(2,15)11-4-6-12(16-3)7-5-11/h4-9,15H,1-3H3
InChIKeyPEOCNIUJAWQPCW-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-3-methyl-2-(2-methylthiophen-3-yl)butan-2-ol
CID 130488159
1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol
CID 60794949
1-(4-fluoro-2-methylphenyl)-1-(4-methoxyphenyl)ethanol
CID 62787280
1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol
CID 170080996
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2-(4-methoxyphenyl)-1-thiophen-2-ylpropan-2-ol
CID 65145347
1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol
CID 175567565
[2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane
CID 87392310
(1R)-1-iodo-1-(4-methoxyphenyl)ethanamine
CID 68562835
1-(2,3-dihydrofuran-5-yl)-1-(4-methoxyphenyl)ethanol
CID 102650458
CID 102373172
CID 102373172
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-(2-methylthiophen-3-yl)ethanol?
The IUPAC name of 1-(4-methoxyphenyl)-1-(2-methylthiophen-3-yl)ethanol (CID 102829083) is 1-(4-methoxyphenyl)-1-(2-methylthiophen-3-yl)ethanol.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-(2-methylthiophen-3-yl)ethanol?
The canonical SMILES for 1-(4-methoxyphenyl)-1-(2-methylthiophen-3-yl)ethanol is COc1ccc(C(C)(O)c2ccsc2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1-(2-methylthiophen-3-yl)ethanol?
The InChIKey is PEOCNIUJAWQPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c1-10-13(8-9-17-10)14(2,15)11-4-6-12(16-3)7-5-11/h4-9,15H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-1-(2-methylthiophen-3-yl)ethanol?
1-(4-methoxyphenyl)-1-(2-methylthiophen-3-yl)ethanol has a molecular weight of 248.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-(2-methylthiophen-3-yl)ethanol is sourced from PubChem (CID 102829083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).