4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol

C16H14Cl2O — CID 71463708

IUPAC4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol
SMILESCc1cc(/C=C/c2ccc(Cl)c(Cl)c2)cc(C)c1O
InChIInChI=1S/C16H14Cl2O/c1-10-7-13(8-11(2)16(10)19)4-3-12-5-6-14(17)15(18)9-12/h3-9,19H,1-2H3/b4-3+
InChIKeyXGRLKQOXIRQCDR-ONEGZZNKSA-N
MW293.19 g/mol
LogP5.49
Rot. Bonds2

About 4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol

4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol (PubChem CID 71463708) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is 4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol
PubChem CID71463708
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol
SMILESCc1cc(/C=C/c2ccc(Cl)c(Cl)c2)cc(C)c1O
InChIInChI=1S/C16H14Cl2O/c1-10-7-13(8-11(2)16(10)19)4-3-12-5-6-14(17)15(18)9-12/h3-9,19H,1-2H3/b4-3+
InChIKeyXGRLKQOXIRQCDR-ONEGZZNKSA-N
XLogP5.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.19
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol
CID 54449458
1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
3-(3-chloro-4-hydroxy-5-methylphenyl)prop-2-enal
CID 169458992
1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 122615244
4-(3-bromoprop-1-enyl)-2-chloro-6-methylphenol
CID 169475382
2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol
CID 68740583
sodium 3-(3,4-dichlorophenyl)prop-2-enoate
CID 69303958
4-(3-chloro-4-hydroxy-5-methylphenyl)but-3-enenitrile
CID 170799572
(E)-3-(4-chloro-3-methylphenyl)prop-2-enoic acid
CID 21190486
5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol
CID 101451865
N-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonyl-N'-methylethanimidamide
CID 23469531
S-[3-(3-chloro-4-hydroxy-5-methylphenyl)prop-2-enyl] ethanethioate
CID 169457097

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol (CID 71463708) is 4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol is Cc1cc(/C=C/c2ccc(Cl)c(Cl)c2)cc(C)c1O.
What is the InChIKey of 4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol?
The InChIKey is XGRLKQOXIRQCDR-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H14Cl2O/c1-10-7-13(8-11(2)16(10)19)4-3-12-5-6-14(17)15(18)9-12/h3-9,19H,1-2H3/b4-3+.
What are the key properties of 4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol?
4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol has a molecular weight of 293.19 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol is sourced from PubChem (CID 71463708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).