3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol

C16H20OS — CID 79424431

IUPAC3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
SMILESCCc1ccc(CC(CO)c2ccccc2C)s1
InChIInChI=1S/C16H20OS/c1-3-14-8-9-15(18-14)10-13(11-17)16-7-5-4-6-12(16)2/h4-9,13,17H,3,10-11H2,1-2H3
InChIKeyDDVMLQLZQHILEC-UHFFFAOYSA-N
MW260.40 g/mol
LogP3.94
Rot. Bonds5

About 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol

3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol (PubChem CID 79424431) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
PubChem CID79424431
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
SMILESCCc1ccc(CC(CO)c2ccccc2C)s1
InChIInChI=1S/C16H20OS/c1-3-14-8-9-15(18-14)10-13(11-17)16-7-5-4-6-12(16)2/h4-9,13,17H,3,10-11H2,1-2H3
InChIKeyDDVMLQLZQHILEC-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
CID 79420784
3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine
CID 79424300
1-(2,3-dimethylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 65148352
(1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375029
2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene
CID 79455155
2-[3-bromo-2-(2-chlorophenyl)propyl]-5-ethylthiophene
CID 79454711
3-(2,3-dichlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 107310734
3-ethoxy-2-(2-methylphenyl)propan-1-ol
CID 103985037
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene
CID 63430769
3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 79418016
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
CID 79439048
3-hydrazinyl-2-(2-methylphenyl)propan-1-ol
CID 105438798

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol (CID 79424431) is 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol is CCc1ccc(CC(CO)c2ccccc2C)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol?
The InChIKey is DDVMLQLZQHILEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20OS/c1-3-14-8-9-15(18-14)10-13(11-17)16-7-5-4-6-12(16)2/h4-9,13,17H,3,10-11H2,1-2H3.
What are the key properties of 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol?
3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol has a molecular weight of 260.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 79424431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).