1-(4-chlorophenyl)-2-naphthalen-1-yloxyethanone

C18H13ClO2 — CID 896418

IUPAC1-(4-chlorophenyl)-2-naphthalen-1-yloxyethanone
SMILESO=C(COc1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClO2/c19-15-10-8-14(9-11-15)17(20)12-21-18-7-3-5-13-4-1-2-6-16(13)18/h1-11H,12H2
InChIKeyNPEGZBDZACTTSL-UHFFFAOYSA-N
MW296.75 g/mol
LogP4.75
Rot. Bonds4

About 1-(4-chlorophenyl)-2-naphthalen-1-yloxyethanone

1-(4-chlorophenyl)-2-naphthalen-1-yloxyethanone (PubChem CID 896418) has the molecular formula C18H13ClO2 and a molecular weight of 296.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-naphthalen-1-yloxyethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-naphthalen-1-yloxyethanone
PubChem CID896418
Molecular FormulaC18H13ClO2
Molecular Weight296.75 g/mol
Exact Mass296.06
IUPAC Name1-(4-chlorophenyl)-2-naphthalen-1-yloxyethanone
SMILESO=C(COc1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClO2/c19-15-10-8-14(9-11-15)17(20)12-21-18-7-3-5-13-4-1-2-6-16(13)18/h1-11H,12H2
InChIKeyNPEGZBDZACTTSL-UHFFFAOYSA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-naphthalen-1-yloxyethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-naphthalen-1-yloxyethanone (CID 896418) is 1-(4-chlorophenyl)-2-naphthalen-1-yloxyethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-naphthalen-1-yloxyethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-naphthalen-1-yloxyethanone is O=C(COc1cccc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-naphthalen-1-yloxyethanone?
The InChIKey is NPEGZBDZACTTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO2/c19-15-10-8-14(9-11-15)17(20)12-21-18-7-3-5-13-4-1-2-6-16(13)18/h1-11H,12H2.
What are the key properties of 1-(4-chlorophenyl)-2-naphthalen-1-yloxyethanone?
1-(4-chlorophenyl)-2-naphthalen-1-yloxyethanone has a molecular weight of 296.75 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-naphthalen-1-yloxyethanone is sourced from PubChem (CID 896418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).