ethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate

C20H18O3 — CID 152738087

IUPACethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)c2cc(C)ccc2c1O
InChIInChI=1S/C20H18O3/c1-3-23-20(22)18-12-16(14-7-5-4-6-8-14)17-11-13(2)9-10-15(17)19(18)21/h4-12,21H,3H2,1-2H3
InChIKeyZZAJSIVXIIAOMQ-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.70
Rot. Bonds3

About ethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate

ethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate (PubChem CID 152738087) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate
PubChem CID152738087
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Nameethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)c2cc(C)ccc2c1O
InChIInChI=1S/C20H18O3/c1-3-23-20(22)18-12-16(14-7-5-4-6-8-14)17-11-13(2)9-10-15(17)19(18)21/h4-12,21H,3H2,1-2H3
InChIKeyZZAJSIVXIIAOMQ-UHFFFAOYSA-N
XLogP4.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate
CID 101498227
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
ethyl 5-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxylate
CID 102226522
benzyl 2-hydroxy-5-methyl-3-phenylbenzoate
CID 59014793
ethyl 5-methyl-2-phenylpyridine-3-carboxylate
CID 11849906
ethyl 4-nitro-2,5-diphenylbenzoate
CID 164670587
ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185
ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate
CID 67204819
ethyl 3-(4-methylphenyl)-7-phenyl-1-benzofuran-4-carboxylate
CID 122221967
ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate
CID 100921734
ethyl 2,5-dimethyl-3,4-diphenylbenzoate
CID 102473305

Frequently Asked Questions

What is the IUPAC name of ethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate?
The IUPAC name of ethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate (CID 152738087) is ethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate?
The canonical SMILES for ethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate is CCOC(=O)c1cc(-c2ccccc2)c2cc(C)ccc2c1O.
What is the InChIKey of ethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate?
The InChIKey is ZZAJSIVXIIAOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-3-23-20(22)18-12-16(14-7-5-4-6-8-14)17-11-13(2)9-10-15(17)19(18)21/h4-12,21H,3H2,1-2H3.
What are the key properties of ethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate?
ethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate is sourced from PubChem (CID 152738087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).