[4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate

C21H18O2 — CID 146664163

IUPAC[4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(C)c3ccccc23)cc1
InChIInChI=1S/C21H18O2/c1-14(2)21(22)23-17-11-9-16(10-12-17)19-13-8-15(3)18-6-4-5-7-20(18)19/h4-13H,1H2,2-3H3
InChIKeyIBAACPOWGHWXAK-UHFFFAOYSA-N
MW302.37 g/mol
LogP5.30
Rot. Bonds3

About [4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate

[4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate (PubChem CID 146664163) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is [4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate
PubChem CID146664163
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name[4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(C)c3ccccc23)cc1
InChIInChI=1S/C21H18O2/c1-14(2)21(22)23-17-11-9-16(10-12-17)19-13-8-15(3)18-6-4-5-7-20(18)19/h4-13H,1H2,2-3H3
InChIKeyIBAACPOWGHWXAK-UHFFFAOYSA-N
XLogP5.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.37
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate 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

Cyclofenil
CID 2898
Acetomenaphthone
CID 11310
Ethyl 3-oxo-3H-naphtho(2,1-b)pyran-2-carboxylate
CID 69774
2-Naphthyl benzoate
CID 66734
bisphenol A dimethacrylate
CID 76739
4,4'-(1,2-Diethylethylene)diphenyl dipropionate
CID 107342
2-Naphthyl acetate
CID 73709
4-Methyl-2H-benzo[h]chromen-2-one
CID 602862
3,6-Dimethoxyphenanthren-4-yl acetate
CID 273034
1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate
CID 40747
Naproxen methyl ester
CID 9899603
2-acetyl-3H-benzo(f)chromen-3-one
CID 748172

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate (CID 146664163) is [4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2ccc(C)c3ccccc23)cc1.
What is the InChIKey of [4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate?
The InChIKey is IBAACPOWGHWXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-14(2)21(22)23-17-11-9-16(10-12-17)19-13-8-15(3)18-6-4-5-7-20(18)19/h4-13H,1H2,2-3H3.
What are the key properties of [4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate?
[4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate has a molecular weight of 302.37 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 146664163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).