[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C23H21FO5 — CID 8952635

IUPAC[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCC(=O)c3ccc(OC)c(F)c3)ccc2c1
InChIInChI=1S/C23H21FO5/c1-14(15-4-5-17-11-19(27-2)8-6-16(17)10-15)23(26)29-13-21(25)18-7-9-22(28-3)20(24)12-18/h4-12,14H,13H2,1-3H3/t14-/m0/s1
InChIKeyHUKFNPGPSRDZDT-AWEZNQCLSA-N
MW396.41 g/mol
LogP4.53
Rot. Bonds7

About [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 8952635) has the molecular formula C23H21FO5 and a molecular weight of 396.41 g/mol. Its IUPAC name is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID8952635
Molecular FormulaC23H21FO5
Molecular Weight396.41 g/mol
Exact Mass396.14
IUPAC Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCC(=O)c3ccc(OC)c(F)c3)ccc2c1
InChIInChI=1S/C23H21FO5/c1-14(15-4-5-17-11-19(27-2)8-6-16(17)10-15)23(26)29-13-21(25)18-7-9-22(28-3)20(24)12-18/h4-12,14H,13H2,1-3H3/t14-/m0/s1
InChIKeyHUKFNPGPSRDZDT-AWEZNQCLSA-N
XLogP4.53
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate with MolForge

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Related Compounds

[2-(2-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952080
[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991637
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7491072
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate
CID 7542520
[2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952646
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 500306
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl] 4-methoxybenzoate
CID 88878304
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone
CID 43220187
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7679231

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 8952635) is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)OCC(=O)c3ccc(OC)c(F)c3)ccc2c1.
What is the InChIKey of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is HUKFNPGPSRDZDT-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H21FO5/c1-14(15-4-5-17-11-19(27-2)8-6-16(17)10-15)23(26)29-13-21(25)18-7-9-22(28-3)20(24)12-18/h4-12,14H,13H2,1-3H3/t14-/m0/s1.
What are the key properties of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 396.41 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 8952635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).