4-dec-1-enylbenzene-1,3-diol

C16H24O2 — CID 140936059

IUPAC4-dec-1-enylbenzene-1,3-diol
SMILESCCCCCCCCC=Cc1ccc(O)cc1O
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-14-11-12-15(17)13-16(14)18/h9-13,17-18H,2-8H2,1H3
InChIKeyNGRHWGYTBMCROX-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.86
Rot. Bonds8

About 4-dec-1-enylbenzene-1,3-diol

4-dec-1-enylbenzene-1,3-diol (PubChem CID 140936059) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-dec-1-enylbenzene-1,3-diol.

Molecular Properties

Compound Name4-dec-1-enylbenzene-1,3-diol
PubChem CID140936059
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-dec-1-enylbenzene-1,3-diol
SMILESCCCCCCCCC=Cc1ccc(O)cc1O
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-14-11-12-15(17)13-16(14)18/h9-13,17-18H,2-8H2,1H3
InChIKeyNGRHWGYTBMCROX-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminobut-1-enyl)benzene-1,3-diol
CID 170486543
3-dec-1-enylbenzene-1,2-diol
CID 139606028
2-methyl-3-pentadec-1-enylphenol
CID 69052424
4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol
CID 18539716
4-(octadecyliminomethyl)benzene-1,3-diol
CID 135714970
tridecyl (E)-3-(2,4-dihydroxyphenyl)prop-2-enoate
CID 130431542
5-tridec-1-enylbenzene-1,3-diol
CID 71328262
5-[(E)-tetradec-1-enyl]benzene-1,3-diol
CID 102403768
5-oct-1-enylbenzene-1,3-diol
CID 54079025
3-hept-1-enyl-2-methylphenol
CID 140713587
acetylene;2-methyl-3-[(E)-non-1-enyl]phenol
CID 142088594
4-(3-sulfanylprop-1-enyl)benzene-1,3-diol
CID 169454721

Frequently Asked Questions

What is the IUPAC name of 4-dec-1-enylbenzene-1,3-diol?
The IUPAC name of 4-dec-1-enylbenzene-1,3-diol (CID 140936059) is 4-dec-1-enylbenzene-1,3-diol.
What is the SMILES notation for 4-dec-1-enylbenzene-1,3-diol?
The canonical SMILES for 4-dec-1-enylbenzene-1,3-diol is CCCCCCCCC=Cc1ccc(O)cc1O.
What is the InChIKey of 4-dec-1-enylbenzene-1,3-diol?
The InChIKey is NGRHWGYTBMCROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-14-11-12-15(17)13-16(14)18/h9-13,17-18H,2-8H2,1H3.
What are the key properties of 4-dec-1-enylbenzene-1,3-diol?
4-dec-1-enylbenzene-1,3-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 4-dec-1-enylbenzene-1,3-diol is sourced from PubChem (CID 140936059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).