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

C14H14O3S — CID 14771897

IUPAC2,6-dimethoxy-4-[(E)-2-thiophen-2-ylethenyl]phenol
SMILESCOc1cc(/C=C/c2cccs2)cc(OC)c1O
InChIInChI=1S/C14H14O3S/c1-16-12-8-10(9-13(17-2)14(12)15)5-6-11-4-3-7-18-11/h3-9,15H,1-2H3/b6-5+
InChIKeyLEEDTPQXZVRZEQ-AATRIKPKSA-N
MW262.33 g/mol
LogP3.64
Rot. Bonds4

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

2,6-dimethoxy-4-[(E)-2-thiophen-2-ylethenyl]phenol (PubChem CID 14771897) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(E)-2-thiophen-2-ylethenyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(E)-2-thiophen-2-ylethenyl]phenol
PubChem CID14771897
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name2,6-dimethoxy-4-[(E)-2-thiophen-2-ylethenyl]phenol
SMILESCOc1cc(/C=C/c2cccs2)cc(OC)c1O
InChIInChI=1S/C14H14O3S/c1-16-12-8-10(9-13(17-2)14(12)15)5-6-11-4-3-7-18-11/h3-9,15H,1-2H3/b6-5+
InChIKeyLEEDTPQXZVRZEQ-AATRIKPKSA-N
XLogP3.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(E)-2-thiophen-2-ylethenyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(E)-2-thiophen-2-ylethenyl]phenol (CID 14771897) is 2,6-dimethoxy-4-[(E)-2-thiophen-2-ylethenyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(E)-2-thiophen-2-ylethenyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(E)-2-thiophen-2-ylethenyl]phenol is COc1cc(/C=C/c2cccs2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[(E)-2-thiophen-2-ylethenyl]phenol?
The InChIKey is LEEDTPQXZVRZEQ-AATRIKPKSA-N. The full InChI is InChI=1S/C14H14O3S/c1-16-12-8-10(9-13(17-2)14(12)15)5-6-11-4-3-7-18-11/h3-9,15H,1-2H3/b6-5+.
What are the key properties of 2,6-dimethoxy-4-[(E)-2-thiophen-2-ylethenyl]phenol?
2,6-dimethoxy-4-[(E)-2-thiophen-2-ylethenyl]phenol has a molecular weight of 262.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(E)-2-thiophen-2-ylethenyl]phenol is sourced from PubChem (CID 14771897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).