5-[(E)-tetradec-1-enyl]benzene-1,3-diol

C20H32O2 — CID 102403768

IUPAC5-[(E)-tetradec-1-enyl]benzene-1,3-diol
SMILESCCCCCCCCCCCC/C=C/c1cc(O)cc(O)c1
InChIInChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-19(21)17-20(22)16-18/h13-17,21-22H,2-12H2,1H3/b14-13+
InChIKeyJNXHETOIXXKMRB-BUHFOSPRSA-N
MW304.47 g/mol
LogP6.42
Rot. Bonds12

About 5-[(E)-tetradec-1-enyl]benzene-1,3-diol

5-[(E)-tetradec-1-enyl]benzene-1,3-diol (PubChem CID 102403768) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 5-[(E)-tetradec-1-enyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-tetradec-1-enyl]benzene-1,3-diol
PubChem CID102403768
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name5-[(E)-tetradec-1-enyl]benzene-1,3-diol
SMILESCCCCCCCCCCCC/C=C/c1cc(O)cc(O)c1
InChIInChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-19(21)17-20(22)16-18/h13-17,21-22H,2-12H2,1H3/b14-13+
InChIKeyJNXHETOIXXKMRB-BUHFOSPRSA-N
XLogP6.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 56.42
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-oct-1-enylbenzene-1,3-diol
CID 54079025
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-[(E)-tetradec-1-enyl]benzene-1,3-diol?
The IUPAC name of 5-[(E)-tetradec-1-enyl]benzene-1,3-diol (CID 102403768) is 5-[(E)-tetradec-1-enyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(E)-tetradec-1-enyl]benzene-1,3-diol?
The canonical SMILES for 5-[(E)-tetradec-1-enyl]benzene-1,3-diol is CCCCCCCCCCCC/C=C/c1cc(O)cc(O)c1.
What is the InChIKey of 5-[(E)-tetradec-1-enyl]benzene-1,3-diol?
The InChIKey is JNXHETOIXXKMRB-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-19(21)17-20(22)16-18/h13-17,21-22H,2-12H2,1H3/b14-13+.
What are the key properties of 5-[(E)-tetradec-1-enyl]benzene-1,3-diol?
5-[(E)-tetradec-1-enyl]benzene-1,3-diol has a molecular weight of 304.47 g/mol, XLogP of 6.42, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-tetradec-1-enyl]benzene-1,3-diol is sourced from PubChem (CID 102403768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).