2-methyl-6-prop-2-enyl-4-[(E)-2-thiophen-2-ylethenyl]phenol

C16H16OS — CID 14771895

IUPAC2-methyl-6-prop-2-enyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
SMILESC=CCc1cc(/C=C/c2cccs2)cc(C)c1O
InChIInChI=1S/C16H16OS/c1-3-5-14-11-13(10-12(2)16(14)17)7-8-15-6-4-9-18-15/h3-4,6-11,17H,1,5H2,2H3/b8-7+
InChIKeyFDUKTKJMNSNEKH-BQYQJAHWSA-N
MW256.37 g/mol
LogP4.66
Rot. Bonds4

About 2-methyl-6-prop-2-enyl-4-[(E)-2-thiophen-2-ylethenyl]phenol

2-methyl-6-prop-2-enyl-4-[(E)-2-thiophen-2-ylethenyl]phenol (PubChem CID 14771895) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-methyl-6-prop-2-enyl-4-[(E)-2-thiophen-2-ylethenyl]phenol.

Molecular Properties

Compound Name2-methyl-6-prop-2-enyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
PubChem CID14771895
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name2-methyl-6-prop-2-enyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
SMILESC=CCc1cc(/C=C/c2cccs2)cc(C)c1O
InChIInChI=1S/C16H16OS/c1-3-5-14-11-13(10-12(2)16(14)17)7-8-15-6-4-9-18-15/h3-4,6-11,17H,1,5H2,2H3/b8-7+
InChIKeyFDUKTKJMNSNEKH-BQYQJAHWSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-prop-2-enyl-4-[(E)-2-thiophen-2-ylethenyl]phenol?
The IUPAC name of 2-methyl-6-prop-2-enyl-4-[(E)-2-thiophen-2-ylethenyl]phenol (CID 14771895) is 2-methyl-6-prop-2-enyl-4-[(E)-2-thiophen-2-ylethenyl]phenol.
What is the SMILES notation for 2-methyl-6-prop-2-enyl-4-[(E)-2-thiophen-2-ylethenyl]phenol?
The canonical SMILES for 2-methyl-6-prop-2-enyl-4-[(E)-2-thiophen-2-ylethenyl]phenol is C=CCc1cc(/C=C/c2cccs2)cc(C)c1O.
What is the InChIKey of 2-methyl-6-prop-2-enyl-4-[(E)-2-thiophen-2-ylethenyl]phenol?
The InChIKey is FDUKTKJMNSNEKH-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H16OS/c1-3-5-14-11-13(10-12(2)16(14)17)7-8-15-6-4-9-18-15/h3-4,6-11,17H,1,5H2,2H3/b8-7+.
What are the key properties of 2-methyl-6-prop-2-enyl-4-[(E)-2-thiophen-2-ylethenyl]phenol?
2-methyl-6-prop-2-enyl-4-[(E)-2-thiophen-2-ylethenyl]phenol has a molecular weight of 256.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-prop-2-enyl-4-[(E)-2-thiophen-2-ylethenyl]phenol is sourced from PubChem (CID 14771895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).