1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one

C21H18O2 — CID 2880362

IUPAC1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
SMILESCCOc1ccc(C(=O)C=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C21H18O2/c1-2-23-19-13-10-18(11-14-19)21(22)15-12-17-8-5-7-16-6-3-4-9-20(16)17/h3-15H,2H2,1H3
InChIKeyRTHRLGGMMVPZDZ-UHFFFAOYSA-N
MW302.37 g/mol
LogP5.13
Rot. Bonds5

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

1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one (PubChem CID 2880362) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
PubChem CID2880362
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
SMILESCCOc1ccc(C(=O)C=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C21H18O2/c1-2-23-19-13-10-18(11-14-19)21(22)15-12-17-8-5-7-16-6-3-4-9-20(16)17/h3-15H,2H2,1H3
InChIKeyRTHRLGGMMVPZDZ-UHFFFAOYSA-N
XLogP5.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.37
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 7946173
(E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 6045199
(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one
CID 6143927
3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide
CID 56528892
ethyl 4-[(E)-3-naphthalen-1-ylprop-2-enoyl]oxybenzoate
CID 6234523
[2-(4-ethoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
CID 5178027
(E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 11833608
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl 4-[2-[2-[(E)-3-naphthalen-1-ylprop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 6233974
3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 75890602
2-[4-[(E)-3-[2-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]phenoxy]acetate
CID 9447772

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one?
The IUPAC name of 1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one (CID 2880362) is 1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one is CCOc1ccc(C(=O)C=Cc2cccc3ccccc23)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one?
The InChIKey is RTHRLGGMMVPZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-2-23-19-13-10-18(11-14-19)21(22)15-12-17-8-5-7-16-6-3-4-9-20(16)17/h3-15H,2H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one?
1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one has a molecular weight of 302.37 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one is sourced from PubChem (CID 2880362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).