3-ethenyl-6-phenylhexane-1,4-diol

C14H20O2 — CID 10513125

IUPAC3-ethenyl-6-phenylhexane-1,4-diol
SMILESC=CC(CCO)C(O)CCc1ccccc1
InChIInChI=1S/C14H20O2/c1-2-13(10-11-15)14(16)9-8-12-6-4-3-5-7-12/h2-7,13-16H,1,8-11H2
InChIKeyLUCLCADKPMRPAN-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.16
Rot. Bonds7

About 3-ethenyl-6-phenylhexane-1,4-diol

3-ethenyl-6-phenylhexane-1,4-diol (PubChem CID 10513125) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-ethenyl-6-phenylhexane-1,4-diol.

Molecular Properties

Compound Name3-ethenyl-6-phenylhexane-1,4-diol
PubChem CID10513125
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-ethenyl-6-phenylhexane-1,4-diol
SMILESC=CC(CCO)C(O)CCc1ccccc1
InChIInChI=1S/C14H20O2/c1-2-13(10-11-15)14(16)9-8-12-6-4-3-5-7-12/h2-7,13-16H,1,8-11H2
InChIKeyLUCLCADKPMRPAN-UHFFFAOYSA-N
XLogP2.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
2-ethenyl-3-methyl-5-phenylpentan-1-ol
CID 129208620
3-ethenyl-1-phenylhexan-2-ol
CID 101129248
ethyl (4R,5S)-4-ethenyl-2,2-difluoro-5-hydroxy-7-phenylheptanoate
CID 162403593
3-iodo-5-phenylpentan-1-ol
CID 72737270
2-non-8-enyl-5-phenylpentane-1,3-diol
CID 71610289
(2R,3S)-5-phenyl-2-[(E)-3-phenylmethoxyprop-1-enyl]pentane-1,3-diol
CID 138976247
2-ethenyl-3-methyl-8-phenyloctan-1-ol
CID 129208027
[(3R)-3-phenylpent-4-enyl]benzene
CID 134979381
methane;molecular fluorine;bis(sulfur dioxide);[(3S,4R,6S)-3,4,5,6-tetramethyloct-7-enyl]benzene;(3S,4S,6S)-4,5,6-trimethyl-1-phenyloct-7-en-3-ol
CID 161425721

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-6-phenylhexane-1,4-diol?
The IUPAC name of 3-ethenyl-6-phenylhexane-1,4-diol (CID 10513125) is 3-ethenyl-6-phenylhexane-1,4-diol.
What is the SMILES notation for 3-ethenyl-6-phenylhexane-1,4-diol?
The canonical SMILES for 3-ethenyl-6-phenylhexane-1,4-diol is C=CC(CCO)C(O)CCc1ccccc1.
What is the InChIKey of 3-ethenyl-6-phenylhexane-1,4-diol?
The InChIKey is LUCLCADKPMRPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-13(10-11-15)14(16)9-8-12-6-4-3-5-7-12/h2-7,13-16H,1,8-11H2.
What are the key properties of 3-ethenyl-6-phenylhexane-1,4-diol?
3-ethenyl-6-phenylhexane-1,4-diol has a molecular weight of 220.31 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-6-phenylhexane-1,4-diol is sourced from PubChem (CID 10513125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).