3-phenyl-3-prop-2-enylpentane-1,5-diol

C14H20O2 — CID 173032148

IUPAC3-phenyl-3-prop-2-enylpentane-1,5-diol
SMILESC=CCC(CCO)(CCO)c1ccccc1
InChIInChI=1S/C14H20O2/c1-2-8-14(9-11-15,10-12-16)13-6-4-3-5-7-13/h2-7,15-16H,1,8-12H2
InChIKeyCJNRZIDQNYCDIO-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.27
Rot. Bonds7

About 3-phenyl-3-prop-2-enylpentane-1,5-diol

3-phenyl-3-prop-2-enylpentane-1,5-diol (PubChem CID 173032148) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-phenyl-3-prop-2-enylpentane-1,5-diol.

Molecular Properties

Compound Name3-phenyl-3-prop-2-enylpentane-1,5-diol
PubChem CID173032148
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-phenyl-3-prop-2-enylpentane-1,5-diol
SMILESC=CCC(CCO)(CCO)c1ccccc1
InChIInChI=1S/C14H20O2/c1-2-8-14(9-11-15,10-12-16)13-6-4-3-5-7-13/h2-7,15-16H,1,8-12H2
InChIKeyCJNRZIDQNYCDIO-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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

4-propylhept-1-en-4-ylbenzene
CID 123221616
1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene
CID 12066232
1-phenylbut-3-ene-1,1-diol
CID 134892936
2-amino-2-phenylpent-4-en-1-ol
CID 10464867
2-phenyl-2-prop-2-enylpent-4-enenitrile
CID 10442696
2,2-diphenylpent-4-enenitrile
CID 10681154
[1-phenylmethoxy-2-(phenylmethoxymethyl)pent-4-en-2-yl]benzene
CID 176894783
(2R)-2-phenyl-2-prop-2-enoxypent-4-en-1-ol
CID 101079972
dilithium;1-phenylbut-3-ene-1,1-diolate
CID 134892935
1-bromo-2-phenylpent-4-en-2-ol
CID 72801000
3,4-dimethyl-3,4-diphenylhexane-1,6-diol
CID 102025625
3-methyl-3-phenylpentane-1,5-diol
CID 3019682

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-prop-2-enylpentane-1,5-diol?
The IUPAC name of 3-phenyl-3-prop-2-enylpentane-1,5-diol (CID 173032148) is 3-phenyl-3-prop-2-enylpentane-1,5-diol.
What is the SMILES notation for 3-phenyl-3-prop-2-enylpentane-1,5-diol?
The canonical SMILES for 3-phenyl-3-prop-2-enylpentane-1,5-diol is C=CCC(CCO)(CCO)c1ccccc1.
What is the InChIKey of 3-phenyl-3-prop-2-enylpentane-1,5-diol?
The InChIKey is CJNRZIDQNYCDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-8-14(9-11-15,10-12-16)13-6-4-3-5-7-13/h2-7,15-16H,1,8-12H2.
What are the key properties of 3-phenyl-3-prop-2-enylpentane-1,5-diol?
3-phenyl-3-prop-2-enylpentane-1,5-diol has a molecular weight of 220.31 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-prop-2-enylpentane-1,5-diol is sourced from PubChem (CID 173032148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).