2,6-di(propan-2-yl)-4-[(E)-2-thiophen-2-ylethenyl]phenol

C18H22OS — CID 14416587

IUPAC2,6-di(propan-2-yl)-4-[(E)-2-thiophen-2-ylethenyl]phenol
SMILESCC(C)c1cc(/C=C/c2cccs2)cc(C(C)C)c1O
InChIInChI=1S/C18H22OS/c1-12(2)16-10-14(7-8-15-6-5-9-20-15)11-17(13(3)4)18(16)19/h5-13,19H,1-4H3/b8-7+
InChIKeyUCBVHQUENQGCTG-BQYQJAHWSA-N
MW286.44 g/mol
LogP5.87
Rot. Bonds4

About 2,6-di(propan-2-yl)-4-[(E)-2-thiophen-2-ylethenyl]phenol

2,6-di(propan-2-yl)-4-[(E)-2-thiophen-2-ylethenyl]phenol (PubChem CID 14416587) has the molecular formula C18H22OS and a molecular weight of 286.44 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-4-[(E)-2-thiophen-2-ylethenyl]phenol.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-4-[(E)-2-thiophen-2-ylethenyl]phenol
PubChem CID14416587
Molecular FormulaC18H22OS
Molecular Weight286.44 g/mol
Exact Mass286.14
IUPAC Name2,6-di(propan-2-yl)-4-[(E)-2-thiophen-2-ylethenyl]phenol
SMILESCC(C)c1cc(/C=C/c2cccs2)cc(C(C)C)c1O
InChIInChI=1S/C18H22OS/c1-12(2)16-10-14(7-8-15-6-5-9-20-15)11-17(13(3)4)18(16)19/h5-13,19H,1-4H3/b8-7+
InChIKeyUCBVHQUENQGCTG-BQYQJAHWSA-N
XLogP5.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.44
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-4-[(E)-2-thiophen-2-ylethenyl]phenol?
The IUPAC name of 2,6-di(propan-2-yl)-4-[(E)-2-thiophen-2-ylethenyl]phenol (CID 14416587) is 2,6-di(propan-2-yl)-4-[(E)-2-thiophen-2-ylethenyl]phenol.
What is the SMILES notation for 2,6-di(propan-2-yl)-4-[(E)-2-thiophen-2-ylethenyl]phenol?
The canonical SMILES for 2,6-di(propan-2-yl)-4-[(E)-2-thiophen-2-ylethenyl]phenol is CC(C)c1cc(/C=C/c2cccs2)cc(C(C)C)c1O.
What is the InChIKey of 2,6-di(propan-2-yl)-4-[(E)-2-thiophen-2-ylethenyl]phenol?
The InChIKey is UCBVHQUENQGCTG-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H22OS/c1-12(2)16-10-14(7-8-15-6-5-9-20-15)11-17(13(3)4)18(16)19/h5-13,19H,1-4H3/b8-7+.
What are the key properties of 2,6-di(propan-2-yl)-4-[(E)-2-thiophen-2-ylethenyl]phenol?
2,6-di(propan-2-yl)-4-[(E)-2-thiophen-2-ylethenyl]phenol has a molecular weight of 286.44 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-4-[(E)-2-thiophen-2-ylethenyl]phenol is sourced from PubChem (CID 14416587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).