1-chloro-3-(2-methylbutoxy)benzene

C11H15ClO — CID 64764370

IUPAC1-chloro-3-(2-methylbutoxy)benzene
SMILESCCC(C)COc1cccc(Cl)c1
InChIInChI=1S/C11H15ClO/c1-3-9(2)8-13-11-6-4-5-10(12)7-11/h4-7,9H,3,8H2,1-2H3
InChIKeyTVTGNANFPIJIRO-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.76
Rot. Bonds4

About 1-chloro-3-(2-methylbutoxy)benzene

1-chloro-3-(2-methylbutoxy)benzene (PubChem CID 64764370) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 1-chloro-3-(2-methylbutoxy)benzene.

Molecular Properties

Compound Name1-chloro-3-(2-methylbutoxy)benzene
PubChem CID64764370
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name1-chloro-3-(2-methylbutoxy)benzene
SMILESCCC(C)COc1cccc(Cl)c1
InChIInChI=1S/C11H15ClO/c1-3-9(2)8-13-11-6-4-5-10(12)7-11/h4-7,9H,3,8H2,1-2H3
InChIKeyTVTGNANFPIJIRO-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chlorophenoxy)-2-methylpropan-1-ol
CID 82076436
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
2-[(3-chlorophenoxy)methyl]butan-1-amine
CID 117241903
1-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 112692970
1-chloro-3-(2-phenylbutoxy)benzene
CID 70672799
1-(3-chlorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262539
1-[3-(2-methylbutoxy)phenyl]ethanol
CID 62104387
1-chloro-3-(2-propan-2-yloxyethoxy)benzene
CID 60643608
1-(3-chlorophenoxy)-N,3-dimethylbutan-2-amine
CID 105077820
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
3-(3-chlorophenoxy)-2-ethoxypropan-1-amine
CID 63069680
1-(3-chlorophenoxy)-5-methylhexan-2-amine
CID 105126678

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-methylbutoxy)benzene?
The IUPAC name of 1-chloro-3-(2-methylbutoxy)benzene (CID 64764370) is 1-chloro-3-(2-methylbutoxy)benzene.
What is the SMILES notation for 1-chloro-3-(2-methylbutoxy)benzene?
The canonical SMILES for 1-chloro-3-(2-methylbutoxy)benzene is CCC(C)COc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(2-methylbutoxy)benzene?
The InChIKey is TVTGNANFPIJIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-3-9(2)8-13-11-6-4-5-10(12)7-11/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-chloro-3-(2-methylbutoxy)benzene?
1-chloro-3-(2-methylbutoxy)benzene has a molecular weight of 198.69 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-methylbutoxy)benzene is sourced from PubChem (CID 64764370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).