2-prop-2-enylnaphthalen-1-ol

C13H12O — CID 10655090

IUPAC2-prop-2-enylnaphthalen-1-ol
SMILESC=CCc1ccc2ccccc2c1O
InChIInChI=1S/C13H12O/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)14/h2-4,6-9,14H,1,5H2
InChIKeyZHOKFMVXIRHAMR-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.27
Rot. Bonds2

About 2-prop-2-enylnaphthalen-1-ol

2-prop-2-enylnaphthalen-1-ol (PubChem CID 10655090) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-prop-2-enylnaphthalen-1-ol.

Molecular Properties

Compound Name2-prop-2-enylnaphthalen-1-ol
PubChem CID10655090
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name2-prop-2-enylnaphthalen-1-ol
SMILESC=CCc1ccc2ccccc2c1O
InChIInChI=1S/C13H12O/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)14/h2-4,6-9,14H,1,5H2
InChIKeyZHOKFMVXIRHAMR-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.27
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 2-prop-2-enylnaphthalen-1-ol?
The IUPAC name of 2-prop-2-enylnaphthalen-1-ol (CID 10655090) is 2-prop-2-enylnaphthalen-1-ol.
What is the SMILES notation for 2-prop-2-enylnaphthalen-1-ol?
The canonical SMILES for 2-prop-2-enylnaphthalen-1-ol is C=CCc1ccc2ccccc2c1O.
What is the InChIKey of 2-prop-2-enylnaphthalen-1-ol?
The InChIKey is ZHOKFMVXIRHAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)14/h2-4,6-9,14H,1,5H2.
What are the key properties of 2-prop-2-enylnaphthalen-1-ol?
2-prop-2-enylnaphthalen-1-ol has a molecular weight of 184.24 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylnaphthalen-1-ol is sourced from PubChem (CID 10655090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).