2-naphthalen-2-ylethenol

C12H10O — CID 67195423

IUPAC2-naphthalen-2-ylethenol
SMILESOC=Cc1ccc2ccccc2c1
InChIInChI=1S/C12H10O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-9,13H
InChIKeyWZMAFGPKBXDWSA-UHFFFAOYSA-N
MW170.21 g/mol
LogP3.37
Rot. Bonds1

About 2-naphthalen-2-ylethenol

2-naphthalen-2-ylethenol (PubChem CID 67195423) has the molecular formula C12H10O and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-naphthalen-2-ylethenol.

Molecular Properties

Compound Name2-naphthalen-2-ylethenol
PubChem CID67195423
Molecular FormulaC12H10O
Molecular Weight170.21 g/mol
Exact Mass170.07
IUPAC Name2-naphthalen-2-ylethenol
SMILESOC=Cc1ccc2ccccc2c1
InChIInChI=1S/C12H10O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-9,13H
InChIKeyWZMAFGPKBXDWSA-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 53.37
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 2-naphthalen-2-ylethenol?
The IUPAC name of 2-naphthalen-2-ylethenol (CID 67195423) is 2-naphthalen-2-ylethenol.
What is the SMILES notation for 2-naphthalen-2-ylethenol?
The canonical SMILES for 2-naphthalen-2-ylethenol is OC=Cc1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-ylethenol?
The InChIKey is WZMAFGPKBXDWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-9,13H.
What are the key properties of 2-naphthalen-2-ylethenol?
2-naphthalen-2-ylethenol has a molecular weight of 170.21 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylethenol is sourced from PubChem (CID 67195423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).