2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol

C16H20OS — CID 79976014

IUPAC2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol
SMILESCCc1ccsc1C(O)Cc1cc(C)ccc1C
InChIInChI=1S/C16H20OS/c1-4-13-7-8-18-16(13)15(17)10-14-9-11(2)5-6-12(14)3/h5-9,15,17H,4,10H2,1-3H3
InChIKeyFOAYRDWWYPQHBO-UHFFFAOYSA-N
MW260.40 g/mol
LogP4.20
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol

2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol (PubChem CID 79976014) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol
PubChem CID79976014
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol
SMILESCCc1ccsc1C(O)Cc1cc(C)ccc1C
InChIInChI=1S/C16H20OS/c1-4-13-7-8-18-16(13)15(17)10-14-9-11(2)5-6-12(14)3/h5-9,15,17H,4,10H2,1-3H3
InChIKeyFOAYRDWWYPQHBO-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 79976365
2-(2,5-dimethylphenyl)-1-thiophen-2-ylethanol
CID 61481652
1-(3-ethylthiophen-2-yl)-2-phenylethanol
CID 79975807
2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 114982148
2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene
CID 79975785
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 79976328
2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 79976015
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
(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-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol
CID 115813406

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol (CID 79976014) is 2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol is CCc1ccsc1C(O)Cc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol?
The InChIKey is FOAYRDWWYPQHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20OS/c1-4-13-7-8-18-16(13)15(17)10-14-9-11(2)5-6-12(14)3/h5-9,15,17H,4,10H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol?
2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol has a molecular weight of 260.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol is sourced from PubChem (CID 79976014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).