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

C14H14O — CID 10845643

IUPAC(E)-1-naphthalen-2-ylbut-2-en-1-ol
SMILESC/C=C/C(O)c1ccc2ccccc2c1
InChIInChI=1S/C14H14O/c1-2-5-14(15)13-9-8-11-6-3-4-7-12(11)10-13/h2-10,14-15H,1H3/b5-2+
InChIKeyYSSJQZFPCKJMEN-GORDUTHDSA-N
MW198.26 g/mol
LogP3.45
Rot. Bonds2

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

(E)-1-naphthalen-2-ylbut-2-en-1-ol (PubChem CID 10845643) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is (E)-1-naphthalen-2-ylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-naphthalen-2-ylbut-2-en-1-ol
PubChem CID10845643
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name(E)-1-naphthalen-2-ylbut-2-en-1-ol
SMILESC/C=C/C(O)c1ccc2ccccc2c1
InChIInChI=1S/C14H14O/c1-2-5-14(15)13-9-8-11-6-3-4-7-12(11)10-13/h2-10,14-15H,1H3/b5-2+
InChIKeyYSSJQZFPCKJMEN-GORDUTHDSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.45
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 (E)-1-naphthalen-2-ylbut-2-en-1-ol?
The IUPAC name of (E)-1-naphthalen-2-ylbut-2-en-1-ol (CID 10845643) is (E)-1-naphthalen-2-ylbut-2-en-1-ol.
What is the SMILES notation for (E)-1-naphthalen-2-ylbut-2-en-1-ol?
The canonical SMILES for (E)-1-naphthalen-2-ylbut-2-en-1-ol is C/C=C/C(O)c1ccc2ccccc2c1.
What is the InChIKey of (E)-1-naphthalen-2-ylbut-2-en-1-ol?
The InChIKey is YSSJQZFPCKJMEN-GORDUTHDSA-N. The full InChI is InChI=1S/C14H14O/c1-2-5-14(15)13-9-8-11-6-3-4-7-12(11)10-13/h2-10,14-15H,1H3/b5-2+.
What are the key properties of (E)-1-naphthalen-2-ylbut-2-en-1-ol?
(E)-1-naphthalen-2-ylbut-2-en-1-ol has a molecular weight of 198.26 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-naphthalen-2-ylbut-2-en-1-ol is sourced from PubChem (CID 10845643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).