methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate

C20H16O4 — CID 8764296

IUPACmethyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate
SMILESCOC(=O)c1ccccc1OC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C20H16O4/c1-23-20(22)17-11-4-5-12-18(17)24-19(21)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-12H,13H2,1H3
InChIKeySITBDBVRINIYMS-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.77
Rot. Bonds4

About methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate

methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate (PubChem CID 8764296) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate.

Molecular Properties

Compound Namemethyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate
PubChem CID8764296
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Namemethyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate
SMILESCOC(=O)c1ccccc1OC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C20H16O4/c1-23-20(22)17-11-4-5-12-18(17)24-19(21)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-12H,13H2,1H3
InChIKeySITBDBVRINIYMS-UHFFFAOYSA-N
XLogP3.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl) 2-naphthalen-1-ylacetate
CID 836864
methyl 2-butanoyloxybenzoate
CID 836876
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 2625317
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate
CID 86997342
4-(2-methoxycarbonylphenoxy)-2-methylidene-4-oxobutanoic acid
CID 91321141
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
methyl 2-(naphthalen-1-ylmethyliminomethyl)benzoate
CID 134113150
methyl 5-fluoro-2-naphthalen-1-ylbenzoate
CID 141376687
methyl 2-(2-chloropropanoyloxy)benzoate
CID 151617516
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate?
The IUPAC name of methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate (CID 8764296) is methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate.
What is the SMILES notation for methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate?
The canonical SMILES for methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate is COC(=O)c1ccccc1OC(=O)Cc1cccc2ccccc12.
What is the InChIKey of methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate?
The InChIKey is SITBDBVRINIYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-23-20(22)17-11-4-5-12-18(17)24-19(21)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-12H,13H2,1H3.
What are the key properties of methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate?
methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate has a molecular weight of 320.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate is sourced from PubChem (CID 8764296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).