2,6-diethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol

C16H18OS — CID 14771889

IUPAC2,6-diethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
SMILESCCc1cc(/C=C/c2cccs2)cc(CC)c1O
InChIInChI=1S/C16H18OS/c1-3-13-10-12(11-14(4-2)16(13)17)7-8-15-6-5-9-18-15/h5-11,17H,3-4H2,1-2H3/b8-7+
InChIKeyBYLFZBICRDBZPF-BQYQJAHWSA-N
MW258.39 g/mol
LogP4.75
Rot. Bonds4

About 2,6-diethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol

2,6-diethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol (PubChem CID 14771889) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 2,6-diethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol.

Molecular Properties

Compound Name2,6-diethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
PubChem CID14771889
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name2,6-diethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
SMILESCCc1cc(/C=C/c2cccs2)cc(CC)c1O
InChIInChI=1S/C16H18OS/c1-3-13-10-12(11-14(4-2)16(13)17)7-8-15-6-5-9-18-15/h5-11,17H,3-4H2,1-2H3/b8-7+
InChIKeyBYLFZBICRDBZPF-BQYQJAHWSA-N
XLogP4.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol?
The IUPAC name of 2,6-diethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol (CID 14771889) is 2,6-diethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol.
What is the SMILES notation for 2,6-diethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol?
The canonical SMILES for 2,6-diethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol is CCc1cc(/C=C/c2cccs2)cc(CC)c1O.
What is the InChIKey of 2,6-diethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol?
The InChIKey is BYLFZBICRDBZPF-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H18OS/c1-3-13-10-12(11-14(4-2)16(13)17)7-8-15-6-5-9-18-15/h5-11,17H,3-4H2,1-2H3/b8-7+.
What are the key properties of 2,6-diethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol?
2,6-diethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol has a molecular weight of 258.39 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4-[(E)-2-thiophen-2-ylethenyl]phenol is sourced from PubChem (CID 14771889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).