1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone

C14H9Cl3O2 — CID 63533407

IUPAC1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(Cl)ccc2Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl3O2/c1-8(18)9-2-5-13(12(17)6-9)19-14-7-10(15)3-4-11(14)16/h2-7H,1H3
InChIKeyHFUWJCRHWZGMPU-UHFFFAOYSA-N
MW315.58 g/mol
LogP5.64
Rot. Bonds3

About 1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone

1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone (PubChem CID 63533407) has the molecular formula C14H9Cl3O2 and a molecular weight of 315.58 g/mol. Its IUPAC name is 1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone
PubChem CID63533407
Molecular FormulaC14H9Cl3O2
Molecular Weight315.58 g/mol
Exact Mass313.97
IUPAC Name1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(Cl)ccc2Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl3O2/c1-8(18)9-2-5-13(12(17)6-9)19-14-7-10(15)3-4-11(14)16/h2-7H,1H3
InChIKeyHFUWJCRHWZGMPU-UHFFFAOYSA-N
XLogP5.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.58
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]ethanone
CID 63532509
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]ethanone
CID 55222650
3-chloro-4-(2,5-dichlorophenoxy)benzoic acid
CID 63513310
1-[3-chloro-4-(5-chloro-2-nitrophenoxy)phenyl]ethanone
CID 62908717
1-[3-chloro-4-(2-chloro-5-nitrophenoxy)phenyl]ethanone
CID 63991975
N-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide
CID 10339350
1-[3-chloro-4-(2,3,5-trimethylphenoxy)phenyl]ethanone
CID 63533846
3-chloro-4-(4-chloro-2-methoxyphenoxy)benzamide
CID 86084993
1-[4-(5-bromo-2-methylphenoxy)-3-chlorophenyl]ethanone
CID 107284741
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
1-[3-bromo-4-(2-chlorophenoxy)phenyl]ethanone
CID 62908154
1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone (CID 63533407) is 1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone is CC(=O)c1ccc(Oc2cc(Cl)ccc2Cl)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone?
The InChIKey is HFUWJCRHWZGMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O2/c1-8(18)9-2-5-13(12(17)6-9)19-14-7-10(15)3-4-11(14)16/h2-7H,1H3.
What are the key properties of 1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone?
1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone has a molecular weight of 315.58 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone is sourced from PubChem (CID 63533407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).