1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone

C19H15ClO3 — CID 7627379

IUPAC1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
SMILESCOc1ccc(C(=O)COc2cccc3ccccc23)cc1Cl
InChIInChI=1S/C19H15ClO3/c1-22-19-10-9-14(11-16(19)20)17(21)12-23-18-8-4-6-13-5-2-3-7-15(13)18/h2-11H,12H2,1H3
InChIKeyGYCLDGBFSSHRLE-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.76
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone

1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone (PubChem CID 7627379) has the molecular formula C19H15ClO3 and a molecular weight of 326.78 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
PubChem CID7627379
Molecular FormulaC19H15ClO3
Molecular Weight326.78 g/mol
Exact Mass326.07
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
SMILESCOc1ccc(C(=O)COc2cccc3ccccc23)cc1Cl
InChIInChI=1S/C19H15ClO3/c1-22-19-10-9-14(11-16(19)20)17(21)12-23-18-8-4-6-13-5-2-3-7-15(13)18/h2-11H,12H2,1H3
InChIKeyGYCLDGBFSSHRLE-UHFFFAOYSA-N
XLogP4.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 896643
2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 83052620
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7626940
2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 60659477
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyethanone
CID 71598058
1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone
CID 7489262
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 8508520
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
4-O-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7488857
1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413925
1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone
CID 62029294

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone (CID 7627379) is 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone is COc1ccc(C(=O)COc2cccc3ccccc23)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone?
The InChIKey is GYCLDGBFSSHRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO3/c1-22-19-10-9-14(11-16(19)20)17(21)12-23-18-8-4-6-13-5-2-3-7-15(13)18/h2-11H,12H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone?
1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone has a molecular weight of 326.78 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone is sourced from PubChem (CID 7627379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).