(2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate

C20H15ClO4 — CID 7291387

IUPAC(2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H15ClO4/c1-24-19-9-8-16(21)11-17(19)20(23)25-12-18(22)15-7-6-13-4-2-3-5-14(13)10-15/h2-11H,12H2,1H3
InChIKeyMAZNPLWHVLAABT-UHFFFAOYSA-N
MW354.79 g/mol
LogP4.54
Rot. Bonds5

About (2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate

(2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate (PubChem CID 7291387) has the molecular formula C20H15ClO4 and a molecular weight of 354.79 g/mol. Its IUPAC name is (2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name(2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate
PubChem CID7291387
Molecular FormulaC20H15ClO4
Molecular Weight354.79 g/mol
Exact Mass354.07
IUPAC Name(2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H15ClO4/c1-24-19-9-8-16(21)11-17(19)20(23)25-12-18(22)15-7-6-13-4-2-3-5-14(13)10-15/h2-11H,12H2,1H3
InChIKeyMAZNPLWHVLAABT-UHFFFAOYSA-N
XLogP4.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7679231
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7626940
(2-naphthalen-2-yl-2-oxoethyl) 3,4,5-trimethoxybenzoate
CID 40612973
naphthalen-2-yl 5-chloro-2-methoxybenzoate
CID 5036835
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate
CID 8738366
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 16540331
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-fluorobenzoate
CID 2511319
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 23990915
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597334
[2-(4-chlorophenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 2584162
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2336407

Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate?
The IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate (CID 7291387) is (2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate.
What is the SMILES notation for (2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate?
The canonical SMILES for (2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate is COc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate?
The InChIKey is MAZNPLWHVLAABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO4/c1-24-19-9-8-16(21)11-17(19)20(23)25-12-18(22)15-7-6-13-4-2-3-5-14(13)10-15/h2-11H,12H2,1H3.
What are the key properties of (2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate?
(2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate has a molecular weight of 354.79 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate is sourced from PubChem (CID 7291387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).