methyl 1-(4-methylphenyl)naphthalene-2-carboxylate

C19H16O2 — CID 139635247

IUPACmethyl 1-(4-methylphenyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1-c1ccc(C)cc1
InChIInChI=1S/C19H16O2/c1-13-7-9-15(10-8-13)18-16-6-4-3-5-14(16)11-12-17(18)19(20)21-2/h3-12H,1-2H3
InChIKeyWZASCDCTTQPHEO-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.60
Rot. Bonds2

About methyl 1-(4-methylphenyl)naphthalene-2-carboxylate

methyl 1-(4-methylphenyl)naphthalene-2-carboxylate (PubChem CID 139635247) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 1-(4-methylphenyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methylphenyl)naphthalene-2-carboxylate
PubChem CID139635247
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Namemethyl 1-(4-methylphenyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1-c1ccc(C)cc1
InChIInChI=1S/C19H16O2/c1-13-7-9-15(10-8-13)18-16-6-4-3-5-14(16)11-12-17(18)19(20)21-2/h3-12H,1-2H3
InChIKeyWZASCDCTTQPHEO-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-methylnaphthalene-2-carboxylate
CID 13491498
methyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate
CID 141476210
methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate
CID 169372846
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268
methyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate
CID 134941672
methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate
CID 177253516
(2-methoxycarbonylnaphthalen-1-yl)boronic acid
CID 155682723
methyl 1-acetyloxynaphthalene-2-carboxylate
CID 131865664
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 1-(5-formylfuran-2-yl)naphthalene-2-carboxylate
CID 169335441
phenyl 1-(4-fluorophenyl)naphthalene-2-carboxylate
CID 143110407
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methylphenyl)naphthalene-2-carboxylate?
The IUPAC name of methyl 1-(4-methylphenyl)naphthalene-2-carboxylate (CID 139635247) is methyl 1-(4-methylphenyl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-(4-methylphenyl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 1-(4-methylphenyl)naphthalene-2-carboxylate is COC(=O)c1ccc2ccccc2c1-c1ccc(C)cc1.
What is the InChIKey of methyl 1-(4-methylphenyl)naphthalene-2-carboxylate?
The InChIKey is WZASCDCTTQPHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-13-7-9-15(10-8-13)18-16-6-4-3-5-14(16)11-12-17(18)19(20)21-2/h3-12H,1-2H3.
What are the key properties of methyl 1-(4-methylphenyl)naphthalene-2-carboxylate?
methyl 1-(4-methylphenyl)naphthalene-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methylphenyl)naphthalene-2-carboxylate is sourced from PubChem (CID 139635247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).