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

C23H22O2 — CID 118732195

IUPAC(E)-1-(2-butoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one
SMILESCCCCOc1ccccc1C(=O)/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C23H22O2/c1-2-3-16-25-23-11-7-6-10-21(23)22(24)15-13-18-12-14-19-8-4-5-9-20(19)17-18/h4-15,17H,2-3,16H2,1H3/b15-13+
InChIKeyFBCCAKXEVHOVNR-FYWRMAATSA-N
MW330.43 g/mol
LogP5.91
Rot. Bonds7

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

(E)-1-(2-butoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one (PubChem CID 118732195) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (E)-1-(2-butoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-butoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one
PubChem CID118732195
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name(E)-1-(2-butoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one
SMILESCCCCOc1ccccc1C(=O)/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C23H22O2/c1-2-3-16-25-23-11-7-6-10-21(23)22(24)15-13-18-12-14-19-8-4-5-9-20(19)17-18/h4-15,17H,2-3,16H2,1H3/b15-13+
InChIKeyFBCCAKXEVHOVNR-FYWRMAATSA-N
XLogP5.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-butoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(2-butoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one (CID 118732195) is (E)-1-(2-butoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-butoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2-butoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one is CCCCOc1ccccc1C(=O)/C=C/c1ccc2ccccc2c1.
What is the InChIKey of (E)-1-(2-butoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is FBCCAKXEVHOVNR-FYWRMAATSA-N. The full InChI is InChI=1S/C23H22O2/c1-2-3-16-25-23-11-7-6-10-21(23)22(24)15-13-18-12-14-19-8-4-5-9-20(19)17-18/h4-15,17H,2-3,16H2,1H3/b15-13+.
What are the key properties of (E)-1-(2-butoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one?
(E)-1-(2-butoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 330.43 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-butoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 118732195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).