4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol

C17H18O2 — CID 71251039

IUPAC4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol
SMILESCOc1ccc(/C(C)=C(\C)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H18O2/c1-12(14-4-8-16(18)9-5-14)13(2)15-6-10-17(19-3)11-7-15/h4-11,18H,1-3H3/b13-12+
InChIKeyCGWUDAOVHXQZGC-OUKQBFOZSA-N
MW254.33 g/mol
LogP4.35
Rot. Bonds3

About 4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol

4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol (PubChem CID 71251039) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol.

Molecular Properties

Compound Name4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol
PubChem CID71251039
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol
SMILESCOc1ccc(/C(C)=C(\C)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H18O2/c1-12(14-4-8-16(18)9-5-14)13(2)15-6-10-17(19-3)11-7-15/h4-11,18H,1-3H3/b13-12+
InChIKeyCGWUDAOVHXQZGC-OUKQBFOZSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;4-methoxyphenol
CID 159494332
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
benzene-1,2-diol;4-methoxyphenol
CID 70292826
4-methoxyphenol;4-methylphenol
CID 158312507
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol
CID 71403634
cyanic acid;4-methoxyphenol
CID 172812844
1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene
CID 13119213
1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione
CID 135990626
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol?
The IUPAC name of 4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol (CID 71251039) is 4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol.
What is the SMILES notation for 4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol?
The canonical SMILES for 4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol is COc1ccc(/C(C)=C(\C)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol?
The InChIKey is CGWUDAOVHXQZGC-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H18O2/c1-12(14-4-8-16(18)9-5-14)13(2)15-6-10-17(19-3)11-7-15/h4-11,18H,1-3H3/b13-12+.
What are the key properties of 4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol?
4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol has a molecular weight of 254.33 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol is sourced from PubChem (CID 71251039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).