1-chloro-3-methyl-5-(4-methylphenoxy)benzene

C14H13ClO — CID 20577508

IUPAC1-chloro-3-methyl-5-(4-methylphenoxy)benzene
SMILESCc1ccc(Oc2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C14H13ClO/c1-10-3-5-13(6-4-10)16-14-8-11(2)7-12(15)9-14/h3-9H,1-2H3
InChIKeyWYEVRKDFSHJVIC-UHFFFAOYSA-N
MW232.71 g/mol
LogP4.75
Rot. Bonds2

About 1-chloro-3-methyl-5-(4-methylphenoxy)benzene

1-chloro-3-methyl-5-(4-methylphenoxy)benzene (PubChem CID 20577508) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-chloro-3-methyl-5-(4-methylphenoxy)benzene.

Molecular Properties

Compound Name1-chloro-3-methyl-5-(4-methylphenoxy)benzene
PubChem CID20577508
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name1-chloro-3-methyl-5-(4-methylphenoxy)benzene
SMILESCc1ccc(Oc2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C14H13ClO/c1-10-3-5-13(6-4-10)16-14-8-11(2)7-12(15)9-14/h3-9H,1-2H3
InChIKeyWYEVRKDFSHJVIC-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

4-(3-chloro-5-methylphenoxy)benzenesulfonyl chloride
CID 143425071
1-chloro-3-(4-methylphenoxy)-5-(2-methylpropyl)benzene
CID 158164679
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
3-(3,5-dichlorophenoxy)-5-methylaniline
CID 112648434
1,3-dimethoxy-5-(4-methylphenoxy)benzene
CID 71396747
4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline
CID 141268738
4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
CID 59187914
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
2-chloro-5-(4-methylphenoxy)phenol
CID 70825108
1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
2-(4-chlorophenoxy)-1,3,5-trimethylbenzene
CID 91665368

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-5-(4-methylphenoxy)benzene?
The IUPAC name of 1-chloro-3-methyl-5-(4-methylphenoxy)benzene (CID 20577508) is 1-chloro-3-methyl-5-(4-methylphenoxy)benzene.
What is the SMILES notation for 1-chloro-3-methyl-5-(4-methylphenoxy)benzene?
The canonical SMILES for 1-chloro-3-methyl-5-(4-methylphenoxy)benzene is Cc1ccc(Oc2cc(C)cc(Cl)c2)cc1.
What is the InChIKey of 1-chloro-3-methyl-5-(4-methylphenoxy)benzene?
The InChIKey is WYEVRKDFSHJVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO/c1-10-3-5-13(6-4-10)16-14-8-11(2)7-12(15)9-14/h3-9H,1-2H3.
What are the key properties of 1-chloro-3-methyl-5-(4-methylphenoxy)benzene?
1-chloro-3-methyl-5-(4-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 1-chloro-3-methyl-5-(4-methylphenoxy)benzene is sourced from PubChem (CID 20577508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).