methyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate

C20H16O4 — CID 67636313

IUPACmethyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate
SMILESCOC(=O)C(=O)c1cccc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C20H16O4/c1-23-20(22)19(21)17-9-5-8-15-10-11-16(12-18(15)17)24-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3
InChIKeyOAXOLGMYKITXIM-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.77
Rot. Bonds5

About methyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate

methyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate (PubChem CID 67636313) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is methyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate
PubChem CID67636313
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Namemethyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate
SMILESCOC(=O)C(=O)c1cccc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C20H16O4/c1-23-20(22)19(21)17-9-5-8-15-10-11-16(12-18(15)17)24-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3
InChIKeyOAXOLGMYKITXIM-UHFFFAOYSA-N
XLogP3.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-2-oxoacetate
CID 170640428
N-(7-phenylmethoxynaphthalen-1-yl)acetamide
CID 91699937
N-(4-phenylmethoxyphenyl)naphthalene-1-carboxamide
CID 1336313
2-(2-methoxycarbonyl-6-phenylmethoxynaphthalen-1-yl)acetic acid
CID 54112709
3-methoxy-3-[7-(phenoxymethyl)naphthalen-1-yl]prop-2-enoic acid
CID 67734587
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946338
methyl 3-(6-phenylmethoxynaphthalen-1-yl)prop-2-enoate
CID 91160431
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate?
The IUPAC name of methyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate (CID 67636313) is methyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate.
What is the SMILES notation for methyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate?
The canonical SMILES for methyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate is COC(=O)C(=O)c1cccc2ccc(OCc3ccccc3)cc12.
What is the InChIKey of methyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate?
The InChIKey is OAXOLGMYKITXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-23-20(22)19(21)17-9-5-8-15-10-11-16(12-18(15)17)24-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3.
What are the key properties of methyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate?
methyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate has a molecular weight of 320.34 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate is sourced from PubChem (CID 67636313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).