ethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate

C21H20O2 — CID 135069331

IUPACethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccc(C)cc2)c2ccccc2c1
InChIInChI=1S/C21H20O2/c1-3-23-21(22)19-13-17-6-4-5-7-20(17)18(14-19)12-16-10-8-15(2)9-11-16/h4-11,13-14H,3,12H2,1-2H3
InChIKeyJXEBFCZDIVHPJF-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.92
Rot. Bonds4

About ethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate

ethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate (PubChem CID 135069331) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate
PubChem CID135069331
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Nameethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccc(C)cc2)c2ccccc2c1
InChIInChI=1S/C21H20O2/c1-3-23-21(22)19-13-17-6-4-5-7-20(17)18(14-19)12-16-10-8-15(2)9-11-16/h4-11,13-14H,3,12H2,1-2H3
InChIKeyJXEBFCZDIVHPJF-UHFFFAOYSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]naphthalene-2-carboxylate
CID 171990143
ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
diethyl 7-methylnaphthalene-1,3-dicarboxylate
CID 11323625
ethyl 3-benzyl-4-methylbenzoate
CID 86240773
methyl 4-(hydroxymethyl)naphthalene-2-carboxylate
CID 12749200
ethyl 1-hydroxyphenanthrene-3-carboxylate
CID 101488924
ethyl benzoate;toluene
CID 23150750
ethyl 4-[2-(4-methylphenyl)acetyl]benzoate
CID 15182973
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
azane;1-benzyl-3-methylnaphthalene
CID 174691048

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate?
The IUPAC name of ethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate (CID 135069331) is ethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate?
The canonical SMILES for ethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate is CCOC(=O)c1cc(Cc2ccc(C)cc2)c2ccccc2c1.
What is the InChIKey of ethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate?
The InChIKey is JXEBFCZDIVHPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-3-23-21(22)19-13-17-6-4-5-7-20(17)18(14-19)12-16-10-8-15(2)9-11-16/h4-11,13-14H,3,12H2,1-2H3.
What are the key properties of ethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate?
ethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate is sourced from PubChem (CID 135069331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).