1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene

C14H13ClO2 — CID 163498648

IUPAC1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene
SMILESCOc1ccccc1Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C14H13ClO2/c1-10-9-11(7-8-12(10)15)17-14-6-4-3-5-13(14)16-2/h3-9H,1-2H3
InChIKeyCSVVXEDOGSBOOH-UHFFFAOYSA-N
MW248.71 g/mol
LogP4.45
Rot. Bonds3

About 1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene

1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene (PubChem CID 163498648) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is 1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene.

Molecular Properties

Compound Name1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene
PubChem CID163498648
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene
SMILESCOc1ccccc1Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C14H13ClO2/c1-10-9-11(7-8-12(10)15)17-14-6-4-3-5-13(14)16-2/h3-9H,1-2H3
InChIKeyCSVVXEDOGSBOOH-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene
CID 107086359
1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
CID 43094702
[4-(2-methoxyphenoxy)-2-methylphenyl]methanol
CID 62136414
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-amine
CID 112678379
(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol
CID 103960425
4-(2-methoxyphenoxy)-2-methylbenzenesulfonamide
CID 43436547
[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine
CID 81299924
1-methoxy-2-(3-methoxyphenoxy)benzene
CID 14020526
1,3-dimethoxy-5-(2-methoxyphenoxy)benzene
CID 14020528
2-chloro-4-(2-methoxyphenoxy)pyridine
CID 63777956
2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 76981571

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene?
The IUPAC name of 1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene (CID 163498648) is 1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene.
What is the SMILES notation for 1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene?
The canonical SMILES for 1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene is COc1ccccc1Oc1ccc(Cl)c(C)c1.
What is the InChIKey of 1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene?
The InChIKey is CSVVXEDOGSBOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-10-9-11(7-8-12(10)15)17-14-6-4-3-5-13(14)16-2/h3-9H,1-2H3.
What are the key properties of 1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene?
1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene has a molecular weight of 248.71 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene is sourced from PubChem (CID 163498648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).