(E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one

C13H10O2 — CID 12782042

IUPAC(E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/O)c1ccc2ccccc2c1
InChIInChI=1S/C13H10O2/c14-8-7-13(15)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,14H/b8-7+
InChIKeyLTBKJYIGNGUHMZ-BQYQJAHWSA-N
MW198.22 g/mol
LogP3.09
Rot. Bonds2

About (E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one

(E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one (PubChem CID 12782042) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is (E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one
PubChem CID12782042
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name(E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/O)c1ccc2ccccc2c1
InChIInChI=1S/C13H10O2/c14-8-7-13(15)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,14H/b8-7+
InChIKeyLTBKJYIGNGUHMZ-BQYQJAHWSA-N
XLogP3.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-naphthalen-2-ylpent-2-ene-1,4-dione
CID 102019956
(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
1-(4-methylphenyl)-4-naphthalen-2-ylbut-2-ene-1,4-dione
CID 139710300
1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
CID 5009926
(E)-1-naphthalen-2-ylhex-2-en-1-one
CID 22625485
(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one
CID 6143927
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
(E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one
CID 66760009
(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 89077412
(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 92908632
3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 3531094

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one (CID 12782042) is (E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one is O=C(/C=C/O)c1ccc2ccccc2c1.
What is the InChIKey of (E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is LTBKJYIGNGUHMZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H10O2/c14-8-7-13(15)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,14H/b8-7+.
What are the key properties of (E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one?
(E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 198.22 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 12782042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).