1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one

C9H8Cl2O2 — CID 69337464

IUPAC1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one
SMILESO=C(CO)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H8Cl2O2/c10-7-1-6(2-8(11)4-7)3-9(13)5-12/h1-2,4,12H,3,5H2
InChIKeyUHXVLECMJVPXJF-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.10
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one

1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one (PubChem CID 69337464) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one
PubChem CID69337464
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Name1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one
SMILESO=C(CO)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H8Cl2O2/c10-7-1-6(2-8(11)4-7)3-9(13)5-12/h1-2,4,12H,3,5H2
InChIKeyUHXVLECMJVPXJF-UHFFFAOYSA-N
XLogP2.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-hydroxypropan-2-one
CID 12071752
methyl 4-(3,5-dichlorophenyl)-3-oxobutanoate
CID 86725683
3-(3,5-dichlorophenyl)-2-oxopropanoic acid
CID 60790009
1-bromo-3-(3-chloro-5-methylphenyl)propan-2-one
CID 130849296
N-cyclopropyl-2-(3,5-dichlorophenyl)acetamide
CID 110486749
1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-one
CID 162252914
2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide
CID 110486765
[3-chloro-5-(hydroxymethyl)phenyl]methanol
CID 23562355
ethane;1-hydroxy-3-phenylpropan-2-one
CID 91537381
1-(4-ethylphenyl)-3-hydroxypropan-2-one
CID 82280636
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
methyl 3-(3-bromo-2-oxopropyl)-5-chlorobenzoate
CID 134648968

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one (CID 69337464) is 1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one is O=C(CO)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one?
The InChIKey is UHXVLECMJVPXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c10-7-1-6(2-8(11)4-7)3-9(13)5-12/h1-2,4,12H,3,5H2.
What are the key properties of 1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one?
1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one has a molecular weight of 219.07 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one is sourced from PubChem (CID 69337464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).