(E)-3-naphthalen-2-yl-1-(2-propan-2-yloxyphenyl)prop-2-en-1-one

C22H20O2 — CID 118732196

IUPAC(E)-3-naphthalen-2-yl-1-(2-propan-2-yloxyphenyl)prop-2-en-1-one
SMILESCC(C)Oc1ccccc1C(=O)/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C22H20O2/c1-16(2)24-22-10-6-5-9-20(22)21(23)14-12-17-11-13-18-7-3-4-8-19(18)15-17/h3-16H,1-2H3/b14-12+
InChIKeyMUFMZFFQNRWXJT-WYMLVPIESA-N
MW316.40 g/mol
LogP5.52
Rot. Bonds5

About (E)-3-naphthalen-2-yl-1-(2-propan-2-yloxyphenyl)prop-2-en-1-one

(E)-3-naphthalen-2-yl-1-(2-propan-2-yloxyphenyl)prop-2-en-1-one (PubChem CID 118732196) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (E)-3-naphthalen-2-yl-1-(2-propan-2-yloxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-naphthalen-2-yl-1-(2-propan-2-yloxyphenyl)prop-2-en-1-one
PubChem CID118732196
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name(E)-3-naphthalen-2-yl-1-(2-propan-2-yloxyphenyl)prop-2-en-1-one
SMILESCC(C)Oc1ccccc1C(=O)/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C22H20O2/c1-16(2)24-22-10-6-5-9-20(22)21(23)14-12-17-11-13-18-7-3-4-8-19(18)15-17/h3-16H,1-2H3/b14-12+
InChIKeyMUFMZFFQNRWXJT-WYMLVPIESA-N
XLogP5.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-naphthalen-2-yl-1-(2-propan-2-yloxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-naphthalen-2-yl-1-(2-propan-2-yloxyphenyl)prop-2-en-1-one (CID 118732196) is (E)-3-naphthalen-2-yl-1-(2-propan-2-yloxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-naphthalen-2-yl-1-(2-propan-2-yloxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-naphthalen-2-yl-1-(2-propan-2-yloxyphenyl)prop-2-en-1-one is CC(C)Oc1ccccc1C(=O)/C=C/c1ccc2ccccc2c1.
What is the InChIKey of (E)-3-naphthalen-2-yl-1-(2-propan-2-yloxyphenyl)prop-2-en-1-one?
The InChIKey is MUFMZFFQNRWXJT-WYMLVPIESA-N. The full InChI is InChI=1S/C22H20O2/c1-16(2)24-22-10-6-5-9-20(22)21(23)14-12-17-11-13-18-7-3-4-8-19(18)15-17/h3-16H,1-2H3/b14-12+.
What are the key properties of (E)-3-naphthalen-2-yl-1-(2-propan-2-yloxyphenyl)prop-2-en-1-one?
(E)-3-naphthalen-2-yl-1-(2-propan-2-yloxyphenyl)prop-2-en-1-one has a molecular weight of 316.40 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-2-yl-1-(2-propan-2-yloxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 118732196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).