1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone

C15H11Cl3O2 — CID 107306491

IUPAC1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cccc(Cl)c2Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl3O2/c1-9(19)10-5-6-14(13(17)7-10)20-8-11-3-2-4-12(16)15(11)18/h2-7H,8H2,1H3
InChIKeyKFXCHTMJWIHAIP-UHFFFAOYSA-N
MW329.61 g/mol
LogP5.43
Rot. Bonds4

About 1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone

1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone (PubChem CID 107306491) has the molecular formula C15H11Cl3O2 and a molecular weight of 329.61 g/mol. Its IUPAC name is 1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone
PubChem CID107306491
Molecular FormulaC15H11Cl3O2
Molecular Weight329.61 g/mol
Exact Mass327.98
IUPAC Name1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cccc(Cl)c2Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl3O2/c1-9(19)10-5-6-14(13(17)7-10)20-8-11-3-2-4-12(16)15(11)18/h2-7H,8H2,1H3
InChIKeyKFXCHTMJWIHAIP-UHFFFAOYSA-N
XLogP5.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.61
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[(2,3-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107306604
1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone
CID 10850109
1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 107306486
1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102616154
1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936
2-(4-acetyl-2-chlorophenoxy)acetic acid
CID 13400547
1-[3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627011
3-chloro-4-(naphthalen-1-ylmethoxy)benzoyl chloride
CID 91683497
1-(4-acetyl-2-chlorophenoxy)butan-2-one
CID 99578755
1-(3-chloro-4-octoxyphenyl)ethanone
CID 55223026
1-(4-but-2-enoxy-3-chlorophenyl)ethanone
CID 76977275
(5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate
CID 2693177

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone (CID 107306491) is 1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2cccc(Cl)c2Cl)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone?
The InChIKey is KFXCHTMJWIHAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O2/c1-9(19)10-5-6-14(13(17)7-10)20-8-11-3-2-4-12(16)15(11)18/h2-7H,8H2,1H3.
What are the key properties of 1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone?
1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone has a molecular weight of 329.61 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 107306491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).