2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one

C19H14Cl2O2 — CID 4833725

IUPAC2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one
SMILESCC(Oc1ccc(Cl)c2ccccc12)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2O2/c1-12(19(22)13-6-8-14(20)9-7-13)23-18-11-10-17(21)15-4-2-3-5-16(15)18/h2-12H,1H3
InChIKeyJCFQZEBELMBQDX-UHFFFAOYSA-N
MW345.23 g/mol
LogP5.80
Rot. Bonds4

About 2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one

2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one (PubChem CID 4833725) has the molecular formula C19H14Cl2O2 and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one
PubChem CID4833725
Molecular FormulaC19H14Cl2O2
Molecular Weight345.23 g/mol
Exact Mass344.04
IUPAC Name2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one
SMILESCC(Oc1ccc(Cl)c2ccccc12)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2O2/c1-12(19(22)13-6-8-14(20)9-7-13)23-18-11-10-17(21)15-4-2-3-5-16(15)18/h2-12H,1H3
InChIKeyJCFQZEBELMBQDX-UHFFFAOYSA-N
XLogP5.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.23
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide
CID 25362280
(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 891501
2-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7560443
1-(4-chlorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one
CID 43411892
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
3-chloro-4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxybenzaldehyde
CID 62033107
(2S)-2-(4-chloronaphthalen-1-yl)oxy-N-cyclopentylpropanamide
CID 8021445
[2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate
CID 11834503
4-(4-chloronaphthalen-1-yl)oxypentanoic acid
CID 55047842
2-(4-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60625305
1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one
CID 63654138
2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60625931

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one (CID 4833725) is 2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one is CC(Oc1ccc(Cl)c2ccccc12)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one?
The InChIKey is JCFQZEBELMBQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2O2/c1-12(19(22)13-6-8-14(20)9-7-13)23-18-11-10-17(21)15-4-2-3-5-16(15)18/h2-12H,1H3.
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one?
2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one has a molecular weight of 345.23 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one is sourced from PubChem (CID 4833725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).