4-chloro-2-methyl-1-(2-methylphenoxy)benzene

C14H13ClO — CID 62706685

IUPAC4-chloro-2-methyl-1-(2-methylphenoxy)benzene
SMILESCc1ccccc1Oc1ccc(Cl)cc1C
InChIInChI=1S/C14H13ClO/c1-10-5-3-4-6-13(10)16-14-8-7-12(15)9-11(14)2/h3-9H,1-2H3
InChIKeyXMYFQSTVFAKOCX-UHFFFAOYSA-N
MW232.71 g/mol
LogP4.75
Rot. Bonds2

About 4-chloro-2-methyl-1-(2-methylphenoxy)benzene

4-chloro-2-methyl-1-(2-methylphenoxy)benzene (PubChem CID 62706685) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-chloro-2-methyl-1-(2-methylphenoxy)benzene.

Molecular Properties

Compound Name4-chloro-2-methyl-1-(2-methylphenoxy)benzene
PubChem CID62706685
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name4-chloro-2-methyl-1-(2-methylphenoxy)benzene
SMILESCc1ccccc1Oc1ccc(Cl)cc1C
InChIInChI=1S/C14H13ClO/c1-10-5-3-4-6-13(10)16-14-8-7-12(15)9-11(14)2/h3-9H,1-2H3
InChIKeyXMYFQSTVFAKOCX-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-methylphenoxy)benzonitrile
CID 29271397
2-(4-chloro-2-methylphenoxy)benzaldehyde
CID 30054969
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199996
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553311
1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine
CID 114862910
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]propan-1-amine
CID 43283414
(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate
CID 19172654
5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline
CID 66110372
(1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine
CID 29275289
1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846945

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1-(2-methylphenoxy)benzene?
The IUPAC name of 4-chloro-2-methyl-1-(2-methylphenoxy)benzene (CID 62706685) is 4-chloro-2-methyl-1-(2-methylphenoxy)benzene.
What is the SMILES notation for 4-chloro-2-methyl-1-(2-methylphenoxy)benzene?
The canonical SMILES for 4-chloro-2-methyl-1-(2-methylphenoxy)benzene is Cc1ccccc1Oc1ccc(Cl)cc1C.
What is the InChIKey of 4-chloro-2-methyl-1-(2-methylphenoxy)benzene?
The InChIKey is XMYFQSTVFAKOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO/c1-10-5-3-4-6-13(10)16-14-8-7-12(15)9-11(14)2/h3-9H,1-2H3.
What are the key properties of 4-chloro-2-methyl-1-(2-methylphenoxy)benzene?
4-chloro-2-methyl-1-(2-methylphenoxy)benzene has a molecular weight of 232.71 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1-(2-methylphenoxy)benzene is sourced from PubChem (CID 62706685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).