5-oct-1-enylbenzene-1,3-diol

C14H20O2 — CID 54079025

IUPAC5-oct-1-enylbenzene-1,3-diol
SMILESCCCCCCC=Cc1cc(O)cc(O)c1
InChIInChI=1S/C14H20O2/c1-2-3-4-5-6-7-8-12-9-13(15)11-14(16)10-12/h7-11,15-16H,2-6H2,1H3
InChIKeyMLTDAQBMPDSTEO-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.08
Rot. Bonds6

About 5-oct-1-enylbenzene-1,3-diol

5-oct-1-enylbenzene-1,3-diol (PubChem CID 54079025) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5-oct-1-enylbenzene-1,3-diol.

Molecular Properties

Compound Name5-oct-1-enylbenzene-1,3-diol
PubChem CID54079025
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name5-oct-1-enylbenzene-1,3-diol
SMILESCCCCCCC=Cc1cc(O)cc(O)c1
InChIInChI=1S/C14H20O2/c1-2-3-4-5-6-7-8-12-9-13(15)11-14(16)10-12/h7-11,15-16H,2-6H2,1H3
InChIKeyMLTDAQBMPDSTEO-UHFFFAOYSA-N
XLogP4.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.08
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

5-tridec-1-enylbenzene-1,3-diol
CID 71328262
5-[(E)-tetradec-1-enyl]benzene-1,3-diol
CID 102403768
3-[(Z)-hept-1-enyl]-5-methoxyphenol;methane
CID 158001275
1-[(E)-dec-1-enyl]-3,5-dimethoxybenzene
CID 102295508
3-[(1E,4E)-pentadeca-1,4-dienyl]phenol
CID 101292637
5-undec-3-enylbenzene-1,3-diol
CID 71437101
5-[(E)-heptadec-2-enyl]benzene-1,3-diol
CID 131752392
4-[(1E,5E)-undeca-1,5-dienyl]phenol
CID 141405483
3-[(E)-hex-1-enyl]phenol
CID 121007177
5-[(E)-heptadec-4-enyl]benzene-1,3-diol
CID 11348570
5-[(E)-pentadec-8-enyl]benzene-1,3-diol
CID 6916254
5-pentadeca-2,8-dienylbenzene-1,3-diol
CID 75111208

Frequently Asked Questions

What is the IUPAC name of 5-oct-1-enylbenzene-1,3-diol?
The IUPAC name of 5-oct-1-enylbenzene-1,3-diol (CID 54079025) is 5-oct-1-enylbenzene-1,3-diol.
What is the SMILES notation for 5-oct-1-enylbenzene-1,3-diol?
The canonical SMILES for 5-oct-1-enylbenzene-1,3-diol is CCCCCCC=Cc1cc(O)cc(O)c1.
What is the InChIKey of 5-oct-1-enylbenzene-1,3-diol?
The InChIKey is MLTDAQBMPDSTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-3-4-5-6-7-8-12-9-13(15)11-14(16)10-12/h7-11,15-16H,2-6H2,1H3.
What are the key properties of 5-oct-1-enylbenzene-1,3-diol?
5-oct-1-enylbenzene-1,3-diol has a molecular weight of 220.31 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oct-1-enylbenzene-1,3-diol is sourced from PubChem (CID 54079025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).