4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-2,6-dimethylphenol

C14H13ClOS — CID 14771922

IUPAC4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-2,6-dimethylphenol
SMILESCc1cc(/C=C/c2ccc(Cl)s2)cc(C)c1O
InChIInChI=1S/C14H13ClOS/c1-9-7-11(8-10(2)14(9)16)3-4-12-5-6-13(15)17-12/h3-8,16H,1-2H3/b4-3+
InChIKeyPTCRQGCNRWPRRF-ONEGZZNKSA-N
MW264.78 g/mol
LogP4.89
Rot. Bonds2

About 4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-2,6-dimethylphenol

4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-2,6-dimethylphenol (PubChem CID 14771922) has the molecular formula C14H13ClOS and a molecular weight of 264.78 g/mol. Its IUPAC name is 4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-2,6-dimethylphenol
PubChem CID14771922
Molecular FormulaC14H13ClOS
Molecular Weight264.78 g/mol
Exact Mass264.04
IUPAC Name4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-2,6-dimethylphenol
SMILESCc1cc(/C=C/c2ccc(Cl)s2)cc(C)c1O
InChIInChI=1S/C14H13ClOS/c1-9-7-11(8-10(2)14(9)16)3-4-12-5-6-13(15)17-12/h3-8,16H,1-2H3/b4-3+
InChIKeyPTCRQGCNRWPRRF-ONEGZZNKSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-2,6-dimethylphenol (CID 14771922) is 4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-2,6-dimethylphenol is Cc1cc(/C=C/c2ccc(Cl)s2)cc(C)c1O.
What is the InChIKey of 4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-2,6-dimethylphenol?
The InChIKey is PTCRQGCNRWPRRF-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H13ClOS/c1-9-7-11(8-10(2)14(9)16)3-4-12-5-6-13(15)17-12/h3-8,16H,1-2H3/b4-3+.
What are the key properties of 4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-2,6-dimethylphenol?
4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-2,6-dimethylphenol has a molecular weight of 264.78 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-2,6-dimethylphenol is sourced from PubChem (CID 14771922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).