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

C16H16O3 — CID 24866673

IUPAC3-methoxy-5-[(E)-2-(4-methylphenoxy)ethenyl]phenol
SMILESCOc1cc(O)cc(/C=C/Oc2ccc(C)cc2)c1
InChIInChI=1S/C16H16O3/c1-12-3-5-15(6-4-12)19-8-7-13-9-14(17)11-16(10-13)18-2/h3-11,17H,1-2H3/b8-7+
InChIKeyRKLKKYLGSNVJMN-BQYQJAHWSA-N
MW256.30 g/mol
LogP3.76
Rot. Bonds4

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

3-methoxy-5-[(E)-2-(4-methylphenoxy)ethenyl]phenol (PubChem CID 24866673) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-methoxy-5-[(E)-2-(4-methylphenoxy)ethenyl]phenol.

Molecular Properties

Compound Name3-methoxy-5-[(E)-2-(4-methylphenoxy)ethenyl]phenol
PubChem CID24866673
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-methoxy-5-[(E)-2-(4-methylphenoxy)ethenyl]phenol
SMILESCOc1cc(O)cc(/C=C/Oc2ccc(C)cc2)c1
InChIInChI=1S/C16H16O3/c1-12-3-5-15(6-4-12)19-8-7-13-9-14(17)11-16(10-13)18-2/h3-11,17H,1-2H3/b8-7+
InChIKeyRKLKKYLGSNVJMN-BQYQJAHWSA-N
XLogP3.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-5-[2-(3-methylphenoxy)ethenyl]phenol
CID 74338652
3-methoxy-5-(2-naphthalen-2-yloxyethenyl)phenol
CID 75952248
3-methoxy-5-[(E)-2-(3-methoxyphenoxy)ethenyl]phenol
CID 24866672
3-methoxy-5-[2-(2-methylphenoxy)ethenyl]phenol
CID 74338653
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol
CID 175345045
4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol
CID 58288557
3-[(E)-2-(2-hydroxyphenyl)ethenyl]-5-methoxyphenol
CID 102318988
4-methoxyphenol;4-methylphenol
CID 158312507
(E)-3-(3-hydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 22928735
4-[2-(2,4-dimethoxyphenyl)ethenoxy]phenol
CID 131632823

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(E)-2-(4-methylphenoxy)ethenyl]phenol?
The IUPAC name of 3-methoxy-5-[(E)-2-(4-methylphenoxy)ethenyl]phenol (CID 24866673) is 3-methoxy-5-[(E)-2-(4-methylphenoxy)ethenyl]phenol.
What is the SMILES notation for 3-methoxy-5-[(E)-2-(4-methylphenoxy)ethenyl]phenol?
The canonical SMILES for 3-methoxy-5-[(E)-2-(4-methylphenoxy)ethenyl]phenol is COc1cc(O)cc(/C=C/Oc2ccc(C)cc2)c1.
What is the InChIKey of 3-methoxy-5-[(E)-2-(4-methylphenoxy)ethenyl]phenol?
The InChIKey is RKLKKYLGSNVJMN-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H16O3/c1-12-3-5-15(6-4-12)19-8-7-13-9-14(17)11-16(10-13)18-2/h3-11,17H,1-2H3/b8-7+.
What are the key properties of 3-methoxy-5-[(E)-2-(4-methylphenoxy)ethenyl]phenol?
3-methoxy-5-[(E)-2-(4-methylphenoxy)ethenyl]phenol has a molecular weight of 256.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[(E)-2-(4-methylphenoxy)ethenyl]phenol is sourced from PubChem (CID 24866673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).