2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol

C17H22O2S — CID 115786578

IUPAC2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol
SMILESCOc1csc(C(O)Cc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C17H22O2S/c1-17(2,3)13-7-5-12(6-8-13)9-15(18)16-10-14(19-4)11-20-16/h5-8,10-11,15,18H,9H2,1-4H3
InChIKeyKZGJILQIZMLSOI-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.33
Rot. Bonds4

About 2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol

2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol (PubChem CID 115786578) has the molecular formula C17H22O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol
PubChem CID115786578
Molecular FormulaC17H22O2S
Molecular Weight290.43 g/mol
Exact Mass290.13
IUPAC Name2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol
SMILESCOc1csc(C(O)Cc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C17H22O2S/c1-17(2,3)13-7-5-12(6-8-13)9-15(18)16-10-14(19-4)11-20-16/h5-8,10-11,15,18H,9H2,1-4H3
InChIKeyKZGJILQIZMLSOI-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81129056
2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81129746
2-(furan-3-yl)-1-(4-methoxythiophen-2-yl)ethanol
CID 115830281
1-(4-methoxythiophen-2-yl)-2-thiophen-2-ylethanol
CID 81129052
2-[bromo-(4-tert-butylphenyl)methyl]-4-methoxythiophene
CID 81125160
2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81128653
1-(4-methoxythiophen-2-yl)pentan-1-ol
CID 115783270
1-(4-methoxythiophen-2-yl)ethanol
CID 115840733
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol
CID 102830173
2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81122347
1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol
CID 115833633
2-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]-4-methoxythiophene
CID 81129544

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol (CID 115786578) is 2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol is COc1csc(C(O)Cc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol?
The InChIKey is KZGJILQIZMLSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2S/c1-17(2,3)13-7-5-12(6-8-13)9-15(18)16-10-14(19-4)11-20-16/h5-8,10-11,15,18H,9H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol?
2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol has a molecular weight of 290.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol is sourced from PubChem (CID 115786578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).