(E)-3-(4-chlorophenoxy)-1-naphthalen-1-ylprop-2-en-1-one

C19H13ClO2 — CID 27185593

IUPAC(E)-3-(4-chlorophenoxy)-1-naphthalen-1-ylprop-2-en-1-one
SMILESO=C(/C=C/Oc1ccc(Cl)cc1)c1cccc2ccccc12
InChIInChI=1S/C19H13ClO2/c20-15-8-10-16(11-9-15)22-13-12-19(21)18-7-3-5-14-4-1-2-6-17(14)18/h1-13H/b13-12+
InChIKeyPTGZWWFDIOIXPH-OUKQBFOZSA-N
MW308.76 g/mol
LogP5.27
Rot. Bonds4

About (E)-3-(4-chlorophenoxy)-1-naphthalen-1-ylprop-2-en-1-one

(E)-3-(4-chlorophenoxy)-1-naphthalen-1-ylprop-2-en-1-one (PubChem CID 27185593) has the molecular formula C19H13ClO2 and a molecular weight of 308.76 g/mol. Its IUPAC name is (E)-3-(4-chlorophenoxy)-1-naphthalen-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-chlorophenoxy)-1-naphthalen-1-ylprop-2-en-1-one
PubChem CID27185593
Molecular FormulaC19H13ClO2
Molecular Weight308.76 g/mol
Exact Mass308.06
IUPAC Name(E)-3-(4-chlorophenoxy)-1-naphthalen-1-ylprop-2-en-1-one
SMILESO=C(/C=C/Oc1ccc(Cl)cc1)c1cccc2ccccc12
InChIInChI=1S/C19H13ClO2/c20-15-8-10-16(11-9-15)22-13-12-19(21)18-7-3-5-14-4-1-2-6-17(14)18/h1-13H/b13-12+
InChIKeyPTGZWWFDIOIXPH-OUKQBFOZSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.76
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one
CID 27014118
(Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 58582647
(2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one
CID 139259985
(E)-4,4,4-trifluoro-1-naphthalen-1-ylbut-2-en-1-one
CID 101484406
2-hydroxyimino-1-naphthalen-1-ylethanone
CID 72672439
naphthalene-1-carbonyl iodide
CID 87393513
(2,5-dichlorophenyl)-naphthalen-1-ylmethanone
CID 43167267
(Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one
CID 58582610
(E)-3-(2,4-difluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126187125
2-diazo-1-naphthalen-1-ylethanone
CID 73176926
(E)-1-naphthalen-1-yl-5-phenylpent-2-en-4-yn-1-one
CID 122385874
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenoxy)-1-naphthalen-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(4-chlorophenoxy)-1-naphthalen-1-ylprop-2-en-1-one (CID 27185593) is (E)-3-(4-chlorophenoxy)-1-naphthalen-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-chlorophenoxy)-1-naphthalen-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(4-chlorophenoxy)-1-naphthalen-1-ylprop-2-en-1-one is O=C(/C=C/Oc1ccc(Cl)cc1)c1cccc2ccccc12.
What is the InChIKey of (E)-3-(4-chlorophenoxy)-1-naphthalen-1-ylprop-2-en-1-one?
The InChIKey is PTGZWWFDIOIXPH-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H13ClO2/c20-15-8-10-16(11-9-15)22-13-12-19(21)18-7-3-5-14-4-1-2-6-17(14)18/h1-13H/b13-12+.
What are the key properties of (E)-3-(4-chlorophenoxy)-1-naphthalen-1-ylprop-2-en-1-one?
(E)-3-(4-chlorophenoxy)-1-naphthalen-1-ylprop-2-en-1-one has a molecular weight of 308.76 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenoxy)-1-naphthalen-1-ylprop-2-en-1-one is sourced from PubChem (CID 27185593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).