1-(6-prop-2-enylnaphthalen-2-yl)ethanol

C15H16O — CID 67804497

IUPAC1-(6-prop-2-enylnaphthalen-2-yl)ethanol
SMILESC=CCc1ccc2cc(C(C)O)ccc2c1
InChIInChI=1S/C15H16O/c1-3-4-12-5-6-15-10-13(11(2)16)7-8-14(15)9-12/h3,5-11,16H,1,4H2,2H3
InChIKeyIUYNYJNNEIBRJI-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.62
Rot. Bonds3

About 1-(6-prop-2-enylnaphthalen-2-yl)ethanol

1-(6-prop-2-enylnaphthalen-2-yl)ethanol (PubChem CID 67804497) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(6-prop-2-enylnaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name1-(6-prop-2-enylnaphthalen-2-yl)ethanol
PubChem CID67804497
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name1-(6-prop-2-enylnaphthalen-2-yl)ethanol
SMILESC=CCc1ccc2cc(C(C)O)ccc2c1
InChIInChI=1S/C15H16O/c1-3-4-12-5-6-15-10-13(11(2)16)7-8-14(15)9-12/h3,5-11,16H,1,4H2,2H3
InChIKeyIUYNYJNNEIBRJI-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-prop-2-enylnaphthalen-2-yl)ethanol?
The IUPAC name of 1-(6-prop-2-enylnaphthalen-2-yl)ethanol (CID 67804497) is 1-(6-prop-2-enylnaphthalen-2-yl)ethanol.
What is the SMILES notation for 1-(6-prop-2-enylnaphthalen-2-yl)ethanol?
The canonical SMILES for 1-(6-prop-2-enylnaphthalen-2-yl)ethanol is C=CCc1ccc2cc(C(C)O)ccc2c1.
What is the InChIKey of 1-(6-prop-2-enylnaphthalen-2-yl)ethanol?
The InChIKey is IUYNYJNNEIBRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-3-4-12-5-6-15-10-13(11(2)16)7-8-14(15)9-12/h3,5-11,16H,1,4H2,2H3.
What are the key properties of 1-(6-prop-2-enylnaphthalen-2-yl)ethanol?
1-(6-prop-2-enylnaphthalen-2-yl)ethanol has a molecular weight of 212.29 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-prop-2-enylnaphthalen-2-yl)ethanol is sourced from PubChem (CID 67804497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).