[2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate

C21H17ClO4 — CID 11834503

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate
SMILESCC(Oc1cccc2ccccc12)C(=O)OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClO4/c1-14(26-20-8-4-6-15-5-2-3-7-18(15)20)21(24)25-13-19(23)16-9-11-17(22)12-10-16/h2-12,14H,13H2,1H3
InChIKeyGCQWZQOMOBGTGX-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.69
Rot. Bonds6

About [2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate

[2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate (PubChem CID 11834503) has the molecular formula C21H17ClO4 and a molecular weight of 368.82 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate
PubChem CID11834503
Molecular FormulaC21H17ClO4
Molecular Weight368.82 g/mol
Exact Mass368.08
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate
SMILESCC(Oc1cccc2ccccc12)C(=O)OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClO4/c1-14(26-20-8-4-6-15-5-2-3-7-18(15)20)21(24)25-13-19(23)16-9-11-17(22)12-10-16/h2-12,14H,13H2,1H3
InChIKeyGCQWZQOMOBGTGX-UHFFFAOYSA-N
XLogP4.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 1336816
(2S)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980355
(2R)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980356
[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)propanoate
CID 4121287
2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one
CID 4833725
[2-[(E)-(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 45055338
[2-oxo-2-(4-phenylphenyl)ethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209368
[2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327319
(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 891501
1-(4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 896643
phenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate
CID 134120107
dinaphthalen-1-ylmethyl (2R)-2-(2-iodophenoxy)propanoate
CID 166440084

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate (CID 11834503) is [2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate is CC(Oc1cccc2ccccc12)C(=O)OCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate?
The InChIKey is GCQWZQOMOBGTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClO4/c1-14(26-20-8-4-6-15-5-2-3-7-18(15)20)21(24)25-13-19(23)16-9-11-17(22)12-10-16/h2-12,14H,13H2,1H3.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate?
[2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate has a molecular weight of 368.82 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate is sourced from PubChem (CID 11834503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).