1-(butan-2-yloxymethyl)-2,3-dichlorobenzene

C11H14Cl2O — CID 91723376

IUPAC1-(butan-2-yloxymethyl)-2,3-dichlorobenzene
SMILESCCC(C)OCc1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2O/c1-3-8(2)14-7-9-5-4-6-10(12)11(9)13/h4-6,8H,3,7H2,1-2H3
InChIKeyNLSURMQCIQWYBX-UHFFFAOYSA-N
MW233.14 g/mol
LogP4.31
Rot. Bonds4

About 1-(butan-2-yloxymethyl)-2,3-dichlorobenzene

1-(butan-2-yloxymethyl)-2,3-dichlorobenzene (PubChem CID 91723376) has the molecular formula C11H14Cl2O and a molecular weight of 233.14 g/mol. Its IUPAC name is 1-(butan-2-yloxymethyl)-2,3-dichlorobenzene.

Molecular Properties

Compound Name1-(butan-2-yloxymethyl)-2,3-dichlorobenzene
PubChem CID91723376
Molecular FormulaC11H14Cl2O
Molecular Weight233.14 g/mol
Exact Mass232.04
IUPAC Name1-(butan-2-yloxymethyl)-2,3-dichlorobenzene
SMILESCCC(C)OCc1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2O/c1-3-8(2)14-7-9-5-4-6-10(12)11(9)13/h4-6,8H,3,7H2,1-2H3
InChIKeyNLSURMQCIQWYBX-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-yloxymethyl)-2,3-dichlorobenzene?
The IUPAC name of 1-(butan-2-yloxymethyl)-2,3-dichlorobenzene (CID 91723376) is 1-(butan-2-yloxymethyl)-2,3-dichlorobenzene.
What is the SMILES notation for 1-(butan-2-yloxymethyl)-2,3-dichlorobenzene?
The canonical SMILES for 1-(butan-2-yloxymethyl)-2,3-dichlorobenzene is CCC(C)OCc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(butan-2-yloxymethyl)-2,3-dichlorobenzene?
The InChIKey is NLSURMQCIQWYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O/c1-3-8(2)14-7-9-5-4-6-10(12)11(9)13/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 1-(butan-2-yloxymethyl)-2,3-dichlorobenzene?
1-(butan-2-yloxymethyl)-2,3-dichlorobenzene has a molecular weight of 233.14 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-yloxymethyl)-2,3-dichlorobenzene is sourced from PubChem (CID 91723376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).