1,3,5-trichloro-2-(3-methylbutoxy)benzene

C11H13Cl3O — CID 91691972

IUPAC1,3,5-trichloro-2-(3-methylbutoxy)benzene
SMILESCC(C)CCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl3O/c1-7(2)3-4-15-11-9(13)5-8(12)6-10(11)14/h5-7H,3-4H2,1-2H3
InChIKeyKBQMMOMHIQXCKT-UHFFFAOYSA-N
MW267.58 g/mol
LogP5.07
Rot. Bonds4

About 1,3,5-trichloro-2-(3-methylbutoxy)benzene

1,3,5-trichloro-2-(3-methylbutoxy)benzene (PubChem CID 91691972) has the molecular formula C11H13Cl3O and a molecular weight of 267.58 g/mol. Its IUPAC name is 1,3,5-trichloro-2-(3-methylbutoxy)benzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-(3-methylbutoxy)benzene
PubChem CID91691972
Molecular FormulaC11H13Cl3O
Molecular Weight267.58 g/mol
Exact Mass266.00
IUPAC Name1,3,5-trichloro-2-(3-methylbutoxy)benzene
SMILESCC(C)CCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl3O/c1-7(2)3-4-15-11-9(13)5-8(12)6-10(11)14/h5-7H,3-4H2,1-2H3
InChIKeyKBQMMOMHIQXCKT-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.58
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol
CID 43516162
3,5-dichloro-2-(3-methylbutoxy)benzaldehyde
CID 43515922
3,5-dichloro-4-(3-methylbutoxy)benzenesulfonyl chloride
CID 60800384
N-propan-2-yl-4-(2,4,6-trichlorophenoxy)butan-1-amine
CID 62572065
1,3,5-trichloro-2-octadecoxybenzene
CID 20520413
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977
1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine
CID 55088685
1,3,5-trichloro-2-(6-chlorohexoxy)benzene
CID 63500210
3-(2,4,6-trichlorophenoxy)propan-1-amine
CID 10060902
N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine
CID 2280812
3,5-dichloro-4-[3-(2,4,6-trichlorophenoxy)propoxy]phenol
CID 54396483
N-[2-(2,4,6-trichlorophenoxy)ethyl]pentan-3-amine
CID 63505056

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-(3-methylbutoxy)benzene?
The IUPAC name of 1,3,5-trichloro-2-(3-methylbutoxy)benzene (CID 91691972) is 1,3,5-trichloro-2-(3-methylbutoxy)benzene.
What is the SMILES notation for 1,3,5-trichloro-2-(3-methylbutoxy)benzene?
The canonical SMILES for 1,3,5-trichloro-2-(3-methylbutoxy)benzene is CC(C)CCOc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1,3,5-trichloro-2-(3-methylbutoxy)benzene?
The InChIKey is KBQMMOMHIQXCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3O/c1-7(2)3-4-15-11-9(13)5-8(12)6-10(11)14/h5-7H,3-4H2,1-2H3.
What are the key properties of 1,3,5-trichloro-2-(3-methylbutoxy)benzene?
1,3,5-trichloro-2-(3-methylbutoxy)benzene has a molecular weight of 267.58 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2-(3-methylbutoxy)benzene is sourced from PubChem (CID 91691972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).