1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one

C12H14Cl2O2 — CID 105102601

IUPAC1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one
SMILESCC(C)OCC(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2O2/c1-8(2)16-7-11(15)6-9-5-10(13)3-4-12(9)14/h3-5,8H,6-7H2,1-2H3
InChIKeyZFKMOMGZUUKHIF-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.53
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one

1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one (PubChem CID 105102601) has the molecular formula C12H14Cl2O2 and a molecular weight of 261.15 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one
PubChem CID105102601
Molecular FormulaC12H14Cl2O2
Molecular Weight261.15 g/mol
Exact Mass260.04
IUPAC Name1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one
SMILESCC(C)OCC(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2O2/c1-8(2)16-7-11(15)6-9-5-10(13)3-4-12(9)14/h3-5,8H,6-7H2,1-2H3
InChIKeyZFKMOMGZUUKHIF-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dichlorophenyl)-1,1-dimethoxypropan-2-one
CID 79492729
4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one
CID 116606347
1-(2,5-dichlorophenyl)-4,5,5-trimethylhexan-2-one
CID 114973862
3-amino-1-(2,5-dichlorophenyl)pentan-2-one
CID 116584058
5-amino-1-(2,5-dichlorophenyl)pentan-2-one
CID 116553318
4-(2,5-dichlorophenyl)-3-methylbutan-2-one
CID 65316691
4-amino-1-(2,5-dichlorophenyl)heptan-2-one
CID 116607917
1-(2,5-dichlorophenyl)-3-ethoxyhexan-2-one
CID 116708002
1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66095260
1-(2,4-dichlorophenyl)-4-methylpentan-2-one
CID 39348531
1-(3-chlorophenyl)-2-propan-2-yloxyethanone
CID 43798807
methyl 2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoate
CID 65315876

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one (CID 105102601) is 1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one is CC(C)OCC(=O)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one?
The InChIKey is ZFKMOMGZUUKHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O2/c1-8(2)16-7-11(15)6-9-5-10(13)3-4-12(9)14/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one?
1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one has a molecular weight of 261.15 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one is sourced from PubChem (CID 105102601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).