(E)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one

C22H20O3 — CID 118732198

IUPAC(E)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
SMILESCCOc1ccccc1C(=O)/C=C/c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C22H20O3/c1-3-25-22-7-5-4-6-20(22)21(23)13-9-16-8-10-18-15-19(24-2)12-11-17(18)14-16/h4-15H,3H2,1-2H3/b13-9+
InChIKeyFKWOIMROQDKMFX-UKTHLTGXSA-N
MW332.40 g/mol
LogP5.14
Rot. Bonds6

About (E)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one

(E)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one (PubChem CID 118732198) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (E)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
PubChem CID118732198
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name(E)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
SMILESCCOc1ccccc1C(=O)/C=C/c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C22H20O3/c1-3-25-22-7-5-4-6-20(22)21(23)13-9-16-8-10-18-15-19(24-2)12-11-17(18)14-16/h4-15H,3H2,1-2H3/b13-9+
InChIKeyFKWOIMROQDKMFX-UKTHLTGXSA-N
XLogP5.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one (CID 118732198) is (E)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one is CCOc1ccccc1C(=O)/C=C/c1ccc2cc(OC)ccc2c1.
What is the InChIKey of (E)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one?
The InChIKey is FKWOIMROQDKMFX-UKTHLTGXSA-N. The full InChI is InChI=1S/C22H20O3/c1-3-25-22-7-5-4-6-20(22)21(23)13-9-16-8-10-18-15-19(24-2)12-11-17(18)14-16/h4-15H,3H2,1-2H3/b13-9+.
What are the key properties of (E)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one?
(E)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one has a molecular weight of 332.40 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one is sourced from PubChem (CID 118732198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).