4-(3-chlorophenoxy)-1,2-dimethylbenzene

C14H13ClO — CID 70594513

IUPAC4-(3-chlorophenoxy)-1,2-dimethylbenzene
SMILESCc1ccc(Oc2cccc(Cl)c2)cc1C
InChIInChI=1S/C14H13ClO/c1-10-6-7-14(8-11(10)2)16-13-5-3-4-12(15)9-13/h3-9H,1-2H3
InChIKeyXVFBSGUNWSQQDR-UHFFFAOYSA-N
MW232.71 g/mol
LogP4.75
Rot. Bonds2

About 4-(3-chlorophenoxy)-1,2-dimethylbenzene

4-(3-chlorophenoxy)-1,2-dimethylbenzene (PubChem CID 70594513) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-1,2-dimethylbenzene
PubChem CID70594513
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name4-(3-chlorophenoxy)-1,2-dimethylbenzene
SMILESCc1ccc(Oc2cccc(Cl)c2)cc1C
InChIInChI=1S/C14H13ClO/c1-10-6-7-14(8-11(10)2)16-13-5-3-4-12(15)9-13/h3-9H,1-2H3
InChIKeyXVFBSGUNWSQQDR-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

Analyze 4-(3-chlorophenoxy)-1,2-dimethylbenzene 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

1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
4-(3-chlorophenoxy)-1-[4-(3-chlorophenoxy)-N-hydrazinyl-2-methylanilino]-2-methylbenzene
CID 118138414
4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene
CID 64764553
1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
2-chloro-6-(3,4-dimethylphenoxy)aniline
CID 104834930
2-(3-chlorophenoxy)-4,6-dimethylpyrimidine
CID 171984782
2-chloro-5-(3,4-dimethylphenoxy)pyridine
CID 82225184
4-(4-bromophenoxy)-1,2-dimethylbenzene
CID 169336658
4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene
CID 114846964
1-[4-(3-chlorophenoxy)phenyl]propan-2-amine
CID 63803972
1-butan-2-yl-4-(3-chlorophenoxy)benzene
CID 90872043
[4-(3-chlorophenoxy)phenyl]-(4-hydroxyphenyl)methanone
CID 19806495

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-1,2-dimethylbenzene?
The IUPAC name of 4-(3-chlorophenoxy)-1,2-dimethylbenzene (CID 70594513) is 4-(3-chlorophenoxy)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(3-chlorophenoxy)-1,2-dimethylbenzene?
The canonical SMILES for 4-(3-chlorophenoxy)-1,2-dimethylbenzene is Cc1ccc(Oc2cccc(Cl)c2)cc1C.
What is the InChIKey of 4-(3-chlorophenoxy)-1,2-dimethylbenzene?
The InChIKey is XVFBSGUNWSQQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO/c1-10-6-7-14(8-11(10)2)16-13-5-3-4-12(15)9-13/h3-9H,1-2H3.
What are the key properties of 4-(3-chlorophenoxy)-1,2-dimethylbenzene?
4-(3-chlorophenoxy)-1,2-dimethylbenzene 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-(3-chlorophenoxy)-1,2-dimethylbenzene is sourced from PubChem (CID 70594513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).