2-[2-(3,5-dimethylphenyl)ethenyl]-3-methylphenol

C17H18O — CID 141130983

IUPAC2-[2-(3,5-dimethylphenyl)ethenyl]-3-methylphenol
SMILESCc1cc(C)cc(C=Cc2c(C)cccc2O)c1
InChIInChI=1S/C17H18O/c1-12-9-13(2)11-15(10-12)7-8-16-14(3)5-4-6-17(16)18/h4-11,18H,1-3H3
InChIKeyJPBVTWATSUVBMH-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.49
Rot. Bonds2

About 2-[2-(3,5-dimethylphenyl)ethenyl]-3-methylphenol

2-[2-(3,5-dimethylphenyl)ethenyl]-3-methylphenol (PubChem CID 141130983) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylphenyl)ethenyl]-3-methylphenol.

Molecular Properties

Compound Name2-[2-(3,5-dimethylphenyl)ethenyl]-3-methylphenol
PubChem CID141130983
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2-[2-(3,5-dimethylphenyl)ethenyl]-3-methylphenol
SMILESCc1cc(C)cc(C=Cc2c(C)cccc2O)c1
InChIInChI=1S/C17H18O/c1-12-9-13(2)11-15(10-12)7-8-16-14(3)5-4-6-17(16)18/h4-11,18H,1-3H3
InChIKeyJPBVTWATSUVBMH-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.49
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

1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene
CID 71422497
(E)-4-(2-hydroxy-6-methylphenyl)but-3-en-2-one
CID 131241877
1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene
CID 158075827
methyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate
CID 169478717
2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol
CID 45257812
2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]phenol
CID 140572424
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol
CID 101299108
4-methyl-2-(2-phenylethenyl)benzene-1,3-diol
CID 135318520
3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol
CID 144918045
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol
CID 21024515

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylphenyl)ethenyl]-3-methylphenol?
The IUPAC name of 2-[2-(3,5-dimethylphenyl)ethenyl]-3-methylphenol (CID 141130983) is 2-[2-(3,5-dimethylphenyl)ethenyl]-3-methylphenol.
What is the SMILES notation for 2-[2-(3,5-dimethylphenyl)ethenyl]-3-methylphenol?
The canonical SMILES for 2-[2-(3,5-dimethylphenyl)ethenyl]-3-methylphenol is Cc1cc(C)cc(C=Cc2c(C)cccc2O)c1.
What is the InChIKey of 2-[2-(3,5-dimethylphenyl)ethenyl]-3-methylphenol?
The InChIKey is JPBVTWATSUVBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-12-9-13(2)11-15(10-12)7-8-16-14(3)5-4-6-17(16)18/h4-11,18H,1-3H3.
What are the key properties of 2-[2-(3,5-dimethylphenyl)ethenyl]-3-methylphenol?
2-[2-(3,5-dimethylphenyl)ethenyl]-3-methylphenol has a molecular weight of 238.33 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylphenyl)ethenyl]-3-methylphenol is sourced from PubChem (CID 141130983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).