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

C19H13ClO — CID 7946731

IUPAC(E)-3-(3-chlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc(Cl)c1)c1ccc2ccccc2c1
InChIInChI=1S/C19H13ClO/c20-18-7-3-4-14(12-18)8-11-19(21)17-10-9-15-5-1-2-6-16(15)13-17/h1-13H/b11-8+
InChIKeyDHTNDUIYNLNTDG-DHZHZOJOSA-N
MW292.77 g/mol
LogP5.39
Rot. Bonds3

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

(E)-3-(3-chlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one (PubChem CID 7946731) has the molecular formula C19H13ClO and a molecular weight of 292.77 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
PubChem CID7946731
Molecular FormulaC19H13ClO
Molecular Weight292.77 g/mol
Exact Mass292.07
IUPAC Name(E)-3-(3-chlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc(Cl)c1)c1ccc2ccccc2c1
InChIInChI=1S/C19H13ClO/c20-18-7-3-4-14(12-18)8-11-19(21)17-10-9-15-5-1-2-6-16(15)13-17/h1-13H/b11-8+
InChIKeyDHTNDUIYNLNTDG-DHZHZOJOSA-N
XLogP5.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.77
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(3-chlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one (CID 7946731) is (E)-3-(3-chlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(3-chlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one is O=C(/C=C/c1cccc(Cl)c1)c1ccc2ccccc2c1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is DHTNDUIYNLNTDG-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H13ClO/c20-18-7-3-4-14(12-18)8-11-19(21)17-10-9-15-5-1-2-6-16(15)13-17/h1-13H/b11-8+.
What are the key properties of (E)-3-(3-chlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one?
(E)-3-(3-chlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 292.77 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 7946731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).