3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol

C23H30O2 — CID 23439737

IUPAC3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol
SMILESCC(C)(O)CCCCCCc1cccc(/C=C/c2cccc(O)c2)c1
InChIInChI=1S/C23H30O2/c1-23(2,25)16-6-4-3-5-9-19-10-7-11-20(17-19)14-15-21-12-8-13-22(24)18-21/h7-8,10-15,17-18,24-25H,3-6,9,16H2,1-2H3/b15-14+
InChIKeyCTCBJIKWJPZIID-CCEZHUSRSA-N
MW338.49 g/mol
LogP5.83
Rot. Bonds9

About 3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol

3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol (PubChem CID 23439737) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is 3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol
PubChem CID23439737
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol
SMILESCC(C)(O)CCCCCCc1cccc(/C=C/c2cccc(O)c2)c1
InChIInChI=1S/C23H30O2/c1-23(2,25)16-6-4-3-5-9-19-10-7-11-20(17-19)14-15-21-12-8-13-22(24)18-21/h7-8,10-15,17-18,24-25H,3-6,9,16H2,1-2H3/b15-14+
InChIKeyCTCBJIKWJPZIID-CCEZHUSRSA-N
XLogP5.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[3-(6-hydroxy-6-methylheptyl)phenyl]ethenyl]benzene-1,2-diol
CID 57119515
7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
CID 23439974
7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
CID 57167140
2-methyl-8-(3-methylphenyl)octan-2-ol
CID 143822225
7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol
CID 141024363
2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol
CID 57130205
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
7-[4-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol
CID 141024325
5-[2-[3-(6-hydroxy-7-methyloctyl)phenyl]ethenyl]benzene-1,3-diol
CID 57272502
2-methyl-6-phenylhexan-2-ol
CID 12716611
3-octacosylphenol
CID 101292719
3-hentriacontylphenol
CID 101292722

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol?
The IUPAC name of 3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol (CID 23439737) is 3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol?
The canonical SMILES for 3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol is CC(C)(O)CCCCCCc1cccc(/C=C/c2cccc(O)c2)c1.
What is the InChIKey of 3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol?
The InChIKey is CTCBJIKWJPZIID-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H30O2/c1-23(2,25)16-6-4-3-5-9-19-10-7-11-20(17-19)14-15-21-12-8-13-22(24)18-21/h7-8,10-15,17-18,24-25H,3-6,9,16H2,1-2H3/b15-14+.
What are the key properties of 3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol?
3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol has a molecular weight of 338.49 g/mol, XLogP of 5.83, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol is sourced from PubChem (CID 23439737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).