2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone

C13H15ClO3 — CID 104752130

IUPAC2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone
SMILESCc1ccc(Cl)cc1OCC(=O)C1CCOC1
InChIInChI=1S/C13H15ClO3/c1-9-2-3-11(14)6-13(9)17-8-12(15)10-4-5-16-7-10/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyGGHQXDPCSLGFCE-UHFFFAOYSA-N
MW254.71 g/mol
LogP2.63
Rot. Bonds4

About 2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone

2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone (PubChem CID 104752130) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone
PubChem CID104752130
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone
SMILESCc1ccc(Cl)cc1OCC(=O)C1CCOC1
InChIInChI=1S/C13H15ClO3/c1-9-2-3-11(14)6-13(9)17-8-12(15)10-4-5-16-7-10/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyGGHQXDPCSLGFCE-UHFFFAOYSA-N
XLogP2.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone (CID 104752130) is 2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone is Cc1ccc(Cl)cc1OCC(=O)C1CCOC1.
What is the InChIKey of 2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone?
The InChIKey is GGHQXDPCSLGFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c1-9-2-3-11(14)6-13(9)17-8-12(15)10-4-5-16-7-10/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of 2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone?
2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone has a molecular weight of 254.71 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104752130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).