1-phenylpent-3-ene-1,2-diol

C11H14O2 — CID 72819461

IUPAC1-phenylpent-3-ene-1,2-diol
SMILESCC=CC(O)C(O)c1ccccc1
InChIInChI=1S/C11H14O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h2-8,10-13H,1H3
InChIKeyPPWSYJNJVOLOQY-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.66
Rot. Bonds3

About 1-phenylpent-3-ene-1,2-diol

1-phenylpent-3-ene-1,2-diol (PubChem CID 72819461) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-phenylpent-3-ene-1,2-diol.

Molecular Properties

Compound Name1-phenylpent-3-ene-1,2-diol
PubChem CID72819461
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-phenylpent-3-ene-1,2-diol
SMILESCC=CC(O)C(O)c1ccccc1
InChIInChI=1S/C11H14O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h2-8,10-13H,1H3
InChIKeyPPWSYJNJVOLOQY-UHFFFAOYSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.66
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

(E)-1-pyridin-3-ylpent-3-ene-1,2-diol
CID 130127875
[(2E,5E)-hepta-2,5-dien-4-yl]benzene
CID 102268055
1,2-diphenylethane-1,2-diol
CID 159073808
(E,1S,2R)-1-phenyloct-3-ene-1,2-diol
CID 101054881
(E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol
CID 102092831
(E)-2-methyl-1-phenyl-4-trimethylgermylbut-3-en-1-ol
CID 10707756
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
CID 101008842
CID 101008842
[(Z)-pent-3-en-2-yl]benzene
CID 12697650
1-methylsulfanylbut-2-enylbenzene
CID 146497381
(Z,2S)-2-phenylpent-3-en-1-ol
CID 129386000
benzene;2-phenylethane-1,1,2-triol
CID 174439943

Frequently Asked Questions

What is the IUPAC name of 1-phenylpent-3-ene-1,2-diol?
The IUPAC name of 1-phenylpent-3-ene-1,2-diol (CID 72819461) is 1-phenylpent-3-ene-1,2-diol.
What is the SMILES notation for 1-phenylpent-3-ene-1,2-diol?
The canonical SMILES for 1-phenylpent-3-ene-1,2-diol is CC=CC(O)C(O)c1ccccc1.
What is the InChIKey of 1-phenylpent-3-ene-1,2-diol?
The InChIKey is PPWSYJNJVOLOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h2-8,10-13H,1H3.
What are the key properties of 1-phenylpent-3-ene-1,2-diol?
1-phenylpent-3-ene-1,2-diol has a molecular weight of 178.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpent-3-ene-1,2-diol is sourced from PubChem (CID 72819461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).