1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone

C13H14Cl2O3 — CID 43798272

IUPAC1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone
SMILESO=C(COCC1CCCO1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2O3/c14-11-4-3-9(6-12(11)15)13(16)8-17-7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7-8H2
InChIKeyVDBBARNZQQNEIQ-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.37
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone

1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone (PubChem CID 43798272) has the molecular formula C13H14Cl2O3 and a molecular weight of 289.16 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone
PubChem CID43798272
Molecular FormulaC13H14Cl2O3
Molecular Weight289.16 g/mol
Exact Mass288.03
IUPAC Name1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone
SMILESO=C(COCC1CCCO1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2O3/c14-11-4-3-9(6-12(11)15)13(16)8-17-7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7-8H2
InChIKeyVDBBARNZQQNEIQ-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethoxy)-1-(3,4-dichlorophenyl)ethanone
CID 66322656
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022
1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone
CID 43798299
4-[2-(oxan-2-ylmethoxy)acetyl]benzonitrile
CID 43798900
1-(4-nitrophenyl)-2-(oxan-2-ylmethoxy)ethanone
CID 43798938
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 3,4-dichlorobenzoate
CID 7864832
2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone
CID 43799312
1-(4-amino-3-chlorophenyl)-2-(oxolan-2-yl)ethanone
CID 65159863
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 7488544
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7488547
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
methyl N-(3,4-dichlorobenzoyl)-N'-[[(2S)-oxolan-2-yl]methyl]carbamimidate
CID 7261503

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone (CID 43798272) is 1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone is O=C(COCC1CCCO1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone?
The InChIKey is VDBBARNZQQNEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O3/c14-11-4-3-9(6-12(11)15)13(16)8-17-7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7-8H2.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone?
1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone has a molecular weight of 289.16 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone is sourced from PubChem (CID 43798272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).