1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol

C13H16O2 — CID 130032329

IUPAC1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol
SMILESC=CCC1(O)CCCc2cc(O)ccc21
InChIInChI=1S/C13H16O2/c1-2-7-13(15)8-3-4-10-9-11(14)5-6-12(10)13/h2,5-6,9,14-15H,1,3-4,7-8H2
InChIKeyCKSJYCUNRWQIDJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.49
Rot. Bonds2

About 1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol

1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol (PubChem CID 130032329) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol.

Molecular Properties

Compound Name1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol
PubChem CID130032329
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol
SMILESC=CCC1(O)CCCc2cc(O)ccc21
InChIInChI=1S/C13H16O2/c1-2-7-13(15)8-3-4-10-9-11(14)5-6-12(10)13/h2,5-6,9,14-15H,1,3-4,7-8H2
InChIKeyCKSJYCUNRWQIDJ-UHFFFAOYSA-N
XLogP2.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.49
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

(1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol
CID 162911298
5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol
CID 116531622
1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol
CID 105438625
3-prop-2-enyl-2H-1-benzofuran-3,6-diol
CID 130032721
(4aR)-7-hydroxy-4a-prop-2-enyl-3,4,9,10-tetrahydrophenanthren-2-one
CID 68857927
6-ethenyl-6-(4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol
CID 25264851
1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde
CID 105437335
(2R,4aS,10aS)-2-(2-chloroethynyl)-4a-prop-2-enyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol
CID 68581134
(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 100988172
1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol
CID 83913110
6-ethyl-6-(2-ethyl-4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol
CID 68733185
spiro[7,8-dihydro-6H-naphthalene-5,3'-pyrrolidine]-2-ol;hydrobromide
CID 12630010

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol?
The IUPAC name of 1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol (CID 130032329) is 1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol.
What is the SMILES notation for 1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol?
The canonical SMILES for 1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol is C=CCC1(O)CCCc2cc(O)ccc21.
What is the InChIKey of 1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol?
The InChIKey is CKSJYCUNRWQIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-7-13(15)8-3-4-10-9-11(14)5-6-12(10)13/h2,5-6,9,14-15H,1,3-4,7-8H2.
What are the key properties of 1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol?
1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol has a molecular weight of 204.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol is sourced from PubChem (CID 130032329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).