1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one

C14H16Cl2O2 — CID 62622306

IUPAC1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)CC1CCOCC1
InChIInChI=1S/C14H16Cl2O2/c15-13-2-1-11(9-14(13)16)8-12(17)7-10-3-5-18-6-4-10/h1-2,9-10H,3-8H2
InChIKeyBCBKMUYIPRGYOH-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.92
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one

1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one (PubChem CID 62622306) has the molecular formula C14H16Cl2O2 and a molecular weight of 287.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one
PubChem CID62622306
Molecular FormulaC14H16Cl2O2
Molecular Weight287.19 g/mol
Exact Mass286.05
IUPAC Name1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)CC1CCOCC1
InChIInChI=1S/C14H16Cl2O2/c15-13-2-1-11(9-14(13)16)8-12(17)7-10-3-5-18-6-4-10/h1-2,9-10H,3-8H2
InChIKeyBCBKMUYIPRGYOH-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(3,4-dichlorophenyl)-2-oxopropyl]cyclopentan-1-one
CID 146458835
1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one
CID 62622675
1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one
CID 55096319
N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide
CID 75470667
1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one
CID 67707252
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
1-(2-chloro-5-fluorophenyl)-3-(oxolan-3-yl)propan-2-one
CID 102617804
1-(oxolan-3-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 103986247
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
1-(3-chlorophenyl)-3-cyclopentylpropan-2-one
CID 62504262
1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one
CID 106867100

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one (CID 62622306) is 1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one is O=C(Cc1ccc(Cl)c(Cl)c1)CC1CCOCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one?
The InChIKey is BCBKMUYIPRGYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O2/c15-13-2-1-11(9-14(13)16)8-12(17)7-10-3-5-18-6-4-10/h1-2,9-10H,3-8H2.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one?
1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one has a molecular weight of 287.19 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one is sourced from PubChem (CID 62622306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).