4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol

C16H16O2 — CID 58288557

IUPAC4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol
SMILESCOc1cc(C)cc(/C=C/c2ccc(O)cc2)c1
InChIInChI=1S/C16H16O2/c1-12-9-14(11-16(10-12)18-2)4-3-13-5-7-15(17)8-6-13/h3-11,17H,1-2H3/b4-3+
InChIKeyLKRDZMULEWJPFB-ONEGZZNKSA-N
MW240.30 g/mol
LogP3.88
Rot. Bonds3

About 4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol

4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol (PubChem CID 58288557) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol
PubChem CID58288557
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol
SMILESCOc1cc(C)cc(/C=C/c2ccc(O)cc2)c1
InChIInChI=1S/C16H16O2/c1-12-9-14(11-16(10-12)18-2)4-3-13-5-7-15(17)8-6-13/h3-11,17H,1-2H3/b4-3+
InChIKeyLKRDZMULEWJPFB-ONEGZZNKSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.88
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

3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol
CID 21024515
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
1-methoxy-3-methyl-5-[(Z)-prop-1-enyl]benzene
CID 89073542
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol
CID 152550506
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol
CID 130411171
3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol
CID 175345045
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol
CID 144918045
4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol
CID 142671127

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol?
The IUPAC name of 4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol (CID 58288557) is 4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol is COc1cc(C)cc(/C=C/c2ccc(O)cc2)c1.
What is the InChIKey of 4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol?
The InChIKey is LKRDZMULEWJPFB-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H16O2/c1-12-9-14(11-16(10-12)18-2)4-3-13-5-7-15(17)8-6-13/h3-11,17H,1-2H3/b4-3+.
What are the key properties of 4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol?
4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol has a molecular weight of 240.30 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol is sourced from PubChem (CID 58288557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).