1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one

C15H12Cl2O2 — CID 62028938

IUPAC1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one
SMILESO=C(COc1cc(Cl)ccc1Cl)Cc1ccccc1
InChIInChI=1S/C15H12Cl2O2/c16-12-6-7-14(17)15(9-12)19-10-13(18)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeyJHJCCSCSWLQQNT-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.18
Rot. Bonds5

About 1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one

1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one (PubChem CID 62028938) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one
PubChem CID62028938
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one
SMILESO=C(COc1cc(Cl)ccc1Cl)Cc1ccccc1
InChIInChI=1S/C15H12Cl2O2/c16-12-6-7-14(17)15(9-12)19-10-13(18)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeyJHJCCSCSWLQQNT-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one
CID 82716660
1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62033281
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497
1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one
CID 62032160
2-(2,5-dichlorophenoxy)-1-(2-fluorophenyl)ethanone
CID 60623205
ethyl 4-(2,5-dichlorophenoxy)-3-oxobutanoate
CID 60644149
1,4-dichloro-2-(4-phenylbutoxy)benzene
CID 114334883
1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene
CID 154157151
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 8578532
N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide
CID 10369262
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110931209

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one?
The IUPAC name of 1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one (CID 62028938) is 1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one?
The canonical SMILES for 1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one is O=C(COc1cc(Cl)ccc1Cl)Cc1ccccc1.
What is the InChIKey of 1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one?
The InChIKey is JHJCCSCSWLQQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c16-12-6-7-14(17)15(9-12)19-10-13(18)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2.
What are the key properties of 1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one?
1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one has a molecular weight of 295.17 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one is sourced from PubChem (CID 62028938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).