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

C13H14Cl2O2 — CID 65155022

IUPAC1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
SMILESO=C(CCC1CCCO1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2O2/c14-11-5-3-9(8-12(11)15)13(16)6-4-10-2-1-7-17-10/h3,5,8,10H,1-2,4,6-7H2
InChIKeyNLUMGYYOHKIARN-UHFFFAOYSA-N
MW273.16 g/mol
LogP4.14
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 65155022) has the molecular formula C13H14Cl2O2 and a molecular weight of 273.16 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
PubChem CID65155022
Molecular FormulaC13H14Cl2O2
Molecular Weight273.16 g/mol
Exact Mass272.04
IUPAC Name1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
SMILESO=C(CCC1CCCO1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2O2/c14-11-5-3-9(8-12(11)15)13(16)6-4-10-2-1-7-17-10/h3,5,8,10H,1-2,4,6-7H2
InChIKeyNLUMGYYOHKIARN-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one
CID 114976767
1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone
CID 43798272
1-(3-amino-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 116550972
3-(oxolan-2-yl)-1-(2,3,4,6-tetrachlorophenyl)propan-1-one
CID 105349439
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
1-(4-bromo-3-fluorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976963
1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one
CID 65167105
1-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-yl)butan-1-one
CID 116609950
1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one
CID 63953931
1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65154915
3-(oxolan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-one
CID 114975824
1-(4-amino-3-chlorophenyl)-2-(oxolan-2-yl)ethanone
CID 65159863

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one (CID 65155022) is 1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one is O=C(CCC1CCCO1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is NLUMGYYOHKIARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O2/c14-11-5-3-9(8-12(11)15)13(16)6-4-10-2-1-7-17-10/h3,5,8,10H,1-2,4,6-7H2.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one?
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 273.16 g/mol, XLogP of 4.14, 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-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 65155022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).