(E)-2-naphthalen-2-ylprop-1-en-1-ol

C13H12O — CID 70376926

IUPAC(E)-2-naphthalen-2-ylprop-1-en-1-ol
SMILESC/C(=C\O)c1ccc2ccccc2c1
InChIInChI=1S/C13H12O/c1-10(9-14)12-7-6-11-4-2-3-5-13(11)8-12/h2-9,14H,1H3/b10-9+
InChIKeyPSAZXMUDICLZOO-MDZDMXLPSA-N
MW184.24 g/mol
LogP3.76
Rot. Bonds1

About (E)-2-naphthalen-2-ylprop-1-en-1-ol

(E)-2-naphthalen-2-ylprop-1-en-1-ol (PubChem CID 70376926) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is (E)-2-naphthalen-2-ylprop-1-en-1-ol.

Molecular Properties

Compound Name(E)-2-naphthalen-2-ylprop-1-en-1-ol
PubChem CID70376926
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name(E)-2-naphthalen-2-ylprop-1-en-1-ol
SMILESC/C(=C\O)c1ccc2ccccc2c1
InChIInChI=1S/C13H12O/c1-10(9-14)12-7-6-11-4-2-3-5-13(11)8-12/h2-9,14H,1H3/b10-9+
InChIKeyPSAZXMUDICLZOO-MDZDMXLPSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-naphthalen-2-ylprop-1-en-1-ol?
The IUPAC name of (E)-2-naphthalen-2-ylprop-1-en-1-ol (CID 70376926) is (E)-2-naphthalen-2-ylprop-1-en-1-ol.
What is the SMILES notation for (E)-2-naphthalen-2-ylprop-1-en-1-ol?
The canonical SMILES for (E)-2-naphthalen-2-ylprop-1-en-1-ol is C/C(=C\O)c1ccc2ccccc2c1.
What is the InChIKey of (E)-2-naphthalen-2-ylprop-1-en-1-ol?
The InChIKey is PSAZXMUDICLZOO-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H12O/c1-10(9-14)12-7-6-11-4-2-3-5-13(11)8-12/h2-9,14H,1H3/b10-9+.
What are the key properties of (E)-2-naphthalen-2-ylprop-1-en-1-ol?
(E)-2-naphthalen-2-ylprop-1-en-1-ol has a molecular weight of 184.24 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-naphthalen-2-ylprop-1-en-1-ol is sourced from PubChem (CID 70376926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).