5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene

C17H16Cl2F2O2 — CID 123438097

IUPAC5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene
SMILESCc1cc(Cl)cc(F)c1OCCCOc1c(C)cc(Cl)cc1F
InChIInChI=1S/C17H16Cl2F2O2/c1-10-6-12(18)8-14(20)16(10)22-4-3-5-23-17-11(2)7-13(19)9-15(17)21/h6-9H,3-5H2,1-2H3
InChIKeyQCYIPGUYRZJTCI-UHFFFAOYSA-N
MW361.22 g/mol
LogP5.74
Rot. Bonds6

About 5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene

5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene (PubChem CID 123438097) has the molecular formula C17H16Cl2F2O2 and a molecular weight of 361.22 g/mol. Its IUPAC name is 5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene.

Molecular Properties

Compound Name5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene
PubChem CID123438097
Molecular FormulaC17H16Cl2F2O2
Molecular Weight361.22 g/mol
Exact Mass360.05
IUPAC Name5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene
SMILESCc1cc(Cl)cc(F)c1OCCCOc1c(C)cc(Cl)cc1F
InChIInChI=1S/C17H16Cl2F2O2/c1-10-6-12(18)8-14(20)16(10)22-4-3-5-23-17-11(2)7-13(19)9-15(17)21/h6-9H,3-5H2,1-2H3
InChIKeyQCYIPGUYRZJTCI-UHFFFAOYSA-N
XLogP5.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.22
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine
CID 2249602
5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene
CID 130969013
1,5-dichloro-2-[3-(4-methoxyphenoxy)propoxy]-3-methylbenzene
CID 4302361
5-(4-chloro-2,6-dimethylphenoxy)pentanoic acid
CID 28971752
2-(3-bromopropoxy)-5-chloro-1-iodo-3-methylbenzene
CID 58516586
2-but-3-ynoxy-5-chloro-1,3-dimethylbenzene
CID 63656035
4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline
CID 3848714
4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62450741
1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene
CID 130766678
4-(4-chloro-2,6-dimethylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55221312
2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride
CID 44828457

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene?
The IUPAC name of 5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene (CID 123438097) is 5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene.
What is the SMILES notation for 5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene?
The canonical SMILES for 5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene is Cc1cc(Cl)cc(F)c1OCCCOc1c(C)cc(Cl)cc1F.
What is the InChIKey of 5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene?
The InChIKey is QCYIPGUYRZJTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2F2O2/c1-10-6-12(18)8-14(20)16(10)22-4-3-5-23-17-11(2)7-13(19)9-15(17)21/h6-9H,3-5H2,1-2H3.
What are the key properties of 5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene?
5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene has a molecular weight of 361.22 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene is sourced from PubChem (CID 123438097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).