[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate

C17H15FO5 — CID 7991637

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C17H15FO5/c1-21-13-6-3-11(4-7-13)15(19)10-23-17(20)12-5-8-16(22-2)14(18)9-12/h3-9H,10H2,1-2H3
InChIKeyOIHOLDOCPDNULA-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.88
Rot. Bonds6

About [2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate

[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate (PubChem CID 7991637) has the molecular formula C17H15FO5 and a molecular weight of 318.30 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
PubChem CID7991637
Molecular FormulaC17H15FO5
Molecular Weight318.30 g/mol
Exact Mass318.09
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C17H15FO5/c1-21-13-6-3-11(4-7-13)15(19)10-23-17(20)12-5-8-16(22-2)14(18)9-12/h3-9H,10H2,1-2H3
InChIKeyOIHOLDOCPDNULA-UHFFFAOYSA-N
XLogP2.88
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7491072
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-iodobenzoate
CID 31981645
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7679231
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 2510229
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7547952
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952635
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 18202925
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7546510
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 8520615
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597334
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 7547367

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate (CID 7991637) is [2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate is COc1ccc(C(=O)COC(=O)c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The InChIKey is OIHOLDOCPDNULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO5/c1-21-13-6-3-11(4-7-13)15(19)10-23-17(20)12-5-8-16(22-2)14(18)9-12/h3-9H,10H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate has a molecular weight of 318.30 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate is sourced from PubChem (CID 7991637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).