1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one

C15H18Cl2O2 — CID 65167105

IUPAC1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one
SMILESO=C(CCCC1CCCO1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2O2/c16-14-7-6-11(10-15(14)17)9-12(18)3-1-4-13-5-2-8-19-13/h6-7,10,13H,1-5,8-9H2
InChIKeyISPARKBMNKBZJA-UHFFFAOYSA-N
MW301.21 g/mol
LogP4.45
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one

1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one (PubChem CID 65167105) has the molecular formula C15H18Cl2O2 and a molecular weight of 301.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one
PubChem CID65167105
Molecular FormulaC15H18Cl2O2
Molecular Weight301.21 g/mol
Exact Mass300.07
IUPAC Name1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one
SMILESO=C(CCCC1CCCO1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2O2/c16-14-7-6-11(10-15(14)17)9-12(18)3-1-4-13-5-2-8-19-13/h6-7,10,13H,1-5,8-9H2
InChIKeyISPARKBMNKBZJA-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one
CID 65166948
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022
1-(4-ethylphenyl)-4-(oxolan-2-yl)butan-2-one
CID 114963451
1-(4-iodophenyl)-4-(oxolan-2-yl)butan-2-one
CID 114974166
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-2-one
CID 65155375
1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one
CID 114976767
1-chloro-7-(oxolan-2-yl)heptan-4-one
CID 66044442
1-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-yl)butan-1-one
CID 116609950
1-(2,3-difluorophenyl)-5-(oxolan-2-yl)pentan-2-one
CID 114976783
1-(2-chlorofuran-3-yl)-4-(oxolan-2-yl)butan-1-one
CID 106691075
1-(3-bromo-4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-one
CID 114964693
1-(4-bromophenyl)-4-(oxan-2-yl)butan-2-one
CID 63952355

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one (CID 65167105) is 1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one is O=C(CCCC1CCCO1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one?
The InChIKey is ISPARKBMNKBZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O2/c16-14-7-6-11(10-15(14)17)9-12(18)3-1-4-13-5-2-8-19-13/h6-7,10,13H,1-5,8-9H2.
What are the key properties of 1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one?
1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one has a molecular weight of 301.21 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one is sourced from PubChem (CID 65167105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).