[2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol

C17H22OS — CID 61087925

IUPAC[2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol
SMILESCC(C)c1ccc(C(O)c2ccsc2)c(C(C)C)c1
InChIInChI=1S/C17H22OS/c1-11(2)13-5-6-15(16(9-13)12(3)4)17(18)14-7-8-19-10-14/h5-12,17-18H,1-4H3
InChIKeyGTRAQEQJUNNKSB-UHFFFAOYSA-N
MW274.43 g/mol
LogP5.08
Rot. Bonds4

About [2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol

[2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol (PubChem CID 61087925) has the molecular formula C17H22OS and a molecular weight of 274.43 g/mol. Its IUPAC name is [2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol.

Molecular Properties

Compound Name[2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol
PubChem CID61087925
Molecular FormulaC17H22OS
Molecular Weight274.43 g/mol
Exact Mass274.14
IUPAC Name[2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol
SMILESCC(C)c1ccc(C(O)c2ccsc2)c(C(C)C)c1
InChIInChI=1S/C17H22OS/c1-11(2)13-5-6-15(16(9-13)12(3)4)17(18)14-7-8-19-10-14/h5-12,17-18H,1-4H3
InChIKeyGTRAQEQJUNNKSB-UHFFFAOYSA-N
XLogP5.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(2-propan-2-ylphenyl)-thiophen-3-ylmethanol
CID 97293180
[2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol
CID 14096565
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
(2-methylthiophen-3-yl)-thiophen-3-ylmethanol
CID 102829147
(2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol
CID 105102734
(2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol
CID 63427004
1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol
CID 113435253
2-[hydroxy(thiophen-3-yl)methyl]phenol
CID 155686195
(2-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanol
CID 61082292
(5-bromo-2-methylphenyl)-thiophen-3-ylmethanol
CID 115805475
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol
CID 65189562

Frequently Asked Questions

What is the IUPAC name of [2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol?
The IUPAC name of [2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol (CID 61087925) is [2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol.
What is the SMILES notation for [2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol?
The canonical SMILES for [2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol is CC(C)c1ccc(C(O)c2ccsc2)c(C(C)C)c1.
What is the InChIKey of [2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol?
The InChIKey is GTRAQEQJUNNKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22OS/c1-11(2)13-5-6-15(16(9-13)12(3)4)17(18)14-7-8-19-10-14/h5-12,17-18H,1-4H3.
What are the key properties of [2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol?
[2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol has a molecular weight of 274.43 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol is sourced from PubChem (CID 61087925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).