3-dec-1-enylbenzene-1,2-diol

C16H24O2 — CID 139606028

IUPAC3-dec-1-enylbenzene-1,2-diol
SMILESCCCCCCCCC=Cc1cccc(O)c1O
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15(17)16(14)18/h9-13,17-18H,2-8H2,1H3
InChIKeySNQJBXTUSLWJMY-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.86
Rot. Bonds8

About 3-dec-1-enylbenzene-1,2-diol

3-dec-1-enylbenzene-1,2-diol (PubChem CID 139606028) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-dec-1-enylbenzene-1,2-diol.

Molecular Properties

Compound Name3-dec-1-enylbenzene-1,2-diol
PubChem CID139606028
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name3-dec-1-enylbenzene-1,2-diol
SMILESCCCCCCCCC=Cc1cccc(O)c1O
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15(17)16(14)18/h9-13,17-18H,2-8H2,1H3
InChIKeySNQJBXTUSLWJMY-UHFFFAOYSA-N
XLogP4.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-dec-1-enylbenzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-dec-1-enyl-2-(2-hydroxyphenyl)phenol
CID 139606032
3-dodec-1-enyl-2-(2-hydroxyphenyl)phenol
CID 139606033
1-[(E)-tetradec-1-enyl]naphthalene
CID 101307495
1-[(E)-dec-1-enyl]naphthalene
CID 11807631
1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
[2-[(Z)-dodec-1-enyl]phenyl]methanol
CID 124635447
4-dec-1-enylbenzene-1,3-diol
CID 140936059
1-bromo-2-oct-1-enylbenzene
CID 54357749
CID 173281821
CID 173281821

Frequently Asked Questions

What is the IUPAC name of 3-dec-1-enylbenzene-1,2-diol?
The IUPAC name of 3-dec-1-enylbenzene-1,2-diol (CID 139606028) is 3-dec-1-enylbenzene-1,2-diol.
What is the SMILES notation for 3-dec-1-enylbenzene-1,2-diol?
The canonical SMILES for 3-dec-1-enylbenzene-1,2-diol is CCCCCCCCC=Cc1cccc(O)c1O.
What is the InChIKey of 3-dec-1-enylbenzene-1,2-diol?
The InChIKey is SNQJBXTUSLWJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15(17)16(14)18/h9-13,17-18H,2-8H2,1H3.
What are the key properties of 3-dec-1-enylbenzene-1,2-diol?
3-dec-1-enylbenzene-1,2-diol has a molecular weight of 248.37 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dec-1-enylbenzene-1,2-diol is sourced from PubChem (CID 139606028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).