2-(4-chlorophenoxy)-1,3,5-trimethylbenzene

C15H15ClO — CID 91665368

IUPAC2-(4-chlorophenoxy)-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(Oc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C15H15ClO/c1-10-8-11(2)15(12(3)9-10)17-14-6-4-13(16)5-7-14/h4-9H,1-3H3
InChIKeyBZWLPZUWVSJJQW-UHFFFAOYSA-N
MW246.74 g/mol
LogP5.06
Rot. Bonds2

About 2-(4-chlorophenoxy)-1,3,5-trimethylbenzene

2-(4-chlorophenoxy)-1,3,5-trimethylbenzene (PubChem CID 91665368) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1,3,5-trimethylbenzene
PubChem CID91665368
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name2-(4-chlorophenoxy)-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(Oc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C15H15ClO/c1-10-8-11(2)15(12(3)9-10)17-14-6-4-13(16)5-7-14/h4-9H,1-3H3
InChIKeyBZWLPZUWVSJJQW-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.74
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene
CID 82090358
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
2-amino-3-chloro-6-(4-chlorophenoxy)-5-methylbenzenediazonium
CID 88715859
4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline
CID 144504905
5-(4-chlorophenoxy)-2-methylaniline
CID 91301479
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate
CID 82305595
1,5-dimethyl-2-(4-methylphenoxy)-3-methylsulfonylbenzene
CID 123756567
1-chloro-3-methyl-5-(4-methylphenoxy)benzene
CID 20577508
2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene
CID 24763942
6-chloro-N-(4-chlorophenyl)-5-(2,4,6-trimethylphenoxy)pyridazin-3-amine
CID 71581715
1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane
CID 165032541

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1,3,5-trimethylbenzene?
The IUPAC name of 2-(4-chlorophenoxy)-1,3,5-trimethylbenzene (CID 91665368) is 2-(4-chlorophenoxy)-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-(4-chlorophenoxy)-1,3,5-trimethylbenzene?
The canonical SMILES for 2-(4-chlorophenoxy)-1,3,5-trimethylbenzene is Cc1cc(C)c(Oc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-1,3,5-trimethylbenzene?
The InChIKey is BZWLPZUWVSJJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c1-10-8-11(2)15(12(3)9-10)17-14-6-4-13(16)5-7-14/h4-9H,1-3H3.
What are the key properties of 2-(4-chlorophenoxy)-1,3,5-trimethylbenzene?
2-(4-chlorophenoxy)-1,3,5-trimethylbenzene has a molecular weight of 246.74 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1,3,5-trimethylbenzene is sourced from PubChem (CID 91665368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).