2,4-dichloro-1-(2-methylbutoxymethyl)benzene

C12H16Cl2O — CID 91723382

IUPAC2,4-dichloro-1-(2-methylbutoxymethyl)benzene
SMILESCCC(C)COCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2O/c1-3-9(2)7-15-8-10-4-5-11(13)6-12(10)14/h4-6,9H,3,7-8H2,1-2H3
InChIKeyVOYMPYOEVGLERT-UHFFFAOYSA-N
MW247.16 g/mol
LogP4.56
Rot. Bonds5

About 2,4-dichloro-1-(2-methylbutoxymethyl)benzene

2,4-dichloro-1-(2-methylbutoxymethyl)benzene (PubChem CID 91723382) has the molecular formula C12H16Cl2O and a molecular weight of 247.16 g/mol. Its IUPAC name is 2,4-dichloro-1-(2-methylbutoxymethyl)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(2-methylbutoxymethyl)benzene
PubChem CID91723382
Molecular FormulaC12H16Cl2O
Molecular Weight247.16 g/mol
Exact Mass246.06
IUPAC Name2,4-dichloro-1-(2-methylbutoxymethyl)benzene
SMILESCCC(C)COCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2O/c1-3-9(2)7-15-8-10-4-5-11(13)6-12(10)14/h4-6,9H,3,7-8H2,1-2H3
InChIKeyVOYMPYOEVGLERT-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,4-dichlorophenyl)methoxy]propan-2-amine
CID 82475739
2,4-dichloro-1-(propoxymethyl)benzene
CID 527851
2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine
CID 62336671
2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 14821323
1-fluoro-2-(2-methylbutoxymethyl)benzene
CID 91704394
4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene
CID 91716374
1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine
CID 70293179
1-chloro-3-fluoro-2-(2-methylbutoxymethyl)benzene
CID 91718297
1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 55228646
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine;hydrochloride
CID 17291448
3-[(2,4-dichlorophenyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 22557135
(2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane
CID 130474408

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(2-methylbutoxymethyl)benzene?
The IUPAC name of 2,4-dichloro-1-(2-methylbutoxymethyl)benzene (CID 91723382) is 2,4-dichloro-1-(2-methylbutoxymethyl)benzene.
What is the SMILES notation for 2,4-dichloro-1-(2-methylbutoxymethyl)benzene?
The canonical SMILES for 2,4-dichloro-1-(2-methylbutoxymethyl)benzene is CCC(C)COCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(2-methylbutoxymethyl)benzene?
The InChIKey is VOYMPYOEVGLERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O/c1-3-9(2)7-15-8-10-4-5-11(13)6-12(10)14/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of 2,4-dichloro-1-(2-methylbutoxymethyl)benzene?
2,4-dichloro-1-(2-methylbutoxymethyl)benzene has a molecular weight of 247.16 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(2-methylbutoxymethyl)benzene is sourced from PubChem (CID 91723382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).