3-dec-1-enyl-2-(2-hydroxyphenyl)phenol

C22H28O2 — CID 139606032

IUPAC3-dec-1-enyl-2-(2-hydroxyphenyl)phenol
SMILESCCCCCCCCC=Cc1cccc(O)c1-c1ccccc1O
InChIInChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-13-18-14-12-17-21(24)22(18)19-15-10-11-16-20(19)23/h9-17,23-24H,2-8H2,1H3
InChIKeyOXRUUCYEVDOCBP-UHFFFAOYSA-N
MW324.46 g/mol
LogP6.53
Rot. Bonds9

About 3-dec-1-enyl-2-(2-hydroxyphenyl)phenol

3-dec-1-enyl-2-(2-hydroxyphenyl)phenol (PubChem CID 139606032) has the molecular formula C22H28O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is 3-dec-1-enyl-2-(2-hydroxyphenyl)phenol.

Molecular Properties

Compound Name3-dec-1-enyl-2-(2-hydroxyphenyl)phenol
PubChem CID139606032
Molecular FormulaC22H28O2
Molecular Weight324.46 g/mol
Exact Mass324.21
IUPAC Name3-dec-1-enyl-2-(2-hydroxyphenyl)phenol
SMILESCCCCCCCCC=Cc1cccc(O)c1-c1ccccc1O
InChIInChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-13-18-14-12-17-21(24)22(18)19-15-10-11-16-20(19)23/h9-17,23-24H,2-8H2,1H3
InChIKeyOXRUUCYEVDOCBP-UHFFFAOYSA-N
XLogP6.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-dodec-1-enyl-2-(2-hydroxyphenyl)phenol
CID 139606033
3-dec-1-enylbenzene-1,2-diol
CID 139606028
2-methyl-3-pentadec-1-enylphenol
CID 69052424
3-hept-1-enyl-2-methylphenol
CID 140713587
acetylene;2-methyl-3-[(E)-non-1-enyl]phenol
CID 142088594
4-[(E)-oct-1-enyl]-2-benzofuran-1,3-dione
CID 173139283
1-[(E)-dec-1-enyl]naphthalene
CID 11807631
1-[(E)-tetradec-1-enyl]naphthalene
CID 101307495
1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
2-(2-hydroxyphenyl)-3-prop-1-enylphenol
CID 175962798
[2-[(Z)-dodec-1-enyl]phenyl]methanol
CID 124635447
1-bromo-2-oct-1-enylbenzene
CID 54357749

Frequently Asked Questions

What is the IUPAC name of 3-dec-1-enyl-2-(2-hydroxyphenyl)phenol?
The IUPAC name of 3-dec-1-enyl-2-(2-hydroxyphenyl)phenol (CID 139606032) is 3-dec-1-enyl-2-(2-hydroxyphenyl)phenol.
What is the SMILES notation for 3-dec-1-enyl-2-(2-hydroxyphenyl)phenol?
The canonical SMILES for 3-dec-1-enyl-2-(2-hydroxyphenyl)phenol is CCCCCCCCC=Cc1cccc(O)c1-c1ccccc1O.
What is the InChIKey of 3-dec-1-enyl-2-(2-hydroxyphenyl)phenol?
The InChIKey is OXRUUCYEVDOCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-13-18-14-12-17-21(24)22(18)19-15-10-11-16-20(19)23/h9-17,23-24H,2-8H2,1H3.
What are the key properties of 3-dec-1-enyl-2-(2-hydroxyphenyl)phenol?
3-dec-1-enyl-2-(2-hydroxyphenyl)phenol has a molecular weight of 324.46 g/mol, XLogP of 6.53, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dec-1-enyl-2-(2-hydroxyphenyl)phenol is sourced from PubChem (CID 139606032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).