1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene

C16H16Cl2O2 — CID 58376578

IUPAC1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene
SMILESCc1ccc(OCCOc2c(Cl)cc(C)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2O2/c1-11-3-5-13(6-4-11)19-7-8-20-16-14(17)9-12(2)10-15(16)18/h3-6,9-10H,7-8H2,1-2H3
InChIKeyAPENJUNQGWVAIC-UHFFFAOYSA-N
MW311.21 g/mol
LogP5.07
Rot. Bonds5

About 1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene

1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene (PubChem CID 58376578) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene
PubChem CID58376578
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene
SMILESCc1ccc(OCCOc2c(Cl)cc(C)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2O2/c1-11-3-5-13(6-4-11)19-7-8-20-16-14(17)9-12(2)10-15(16)18/h3-6,9-10H,7-8H2,1-2H3
InChIKeyAPENJUNQGWVAIC-UHFFFAOYSA-N
XLogP5.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.21
LogP ≤ 55.07
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

1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene
CID 143724561
2-(2,6-dichloro-4-methylphenoxy)ethanol
CID 21396902
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
2-methyl-3-[2-(4-methylphenoxy)ethoxy]-1H-pyridin-4-one
CID 82064624
methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]piperidine-3-carboxylic acid
CID 69153693
3-bromo-5-chloro-2-[2-(4-methylphenoxy)ethoxy]benzaldehyde
CID 20990408
[4-[2-(2-chloro-4-methylphenoxy)ethoxy]phenyl]boronic acid
CID 62673438
[[3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]urea
CID 3501853
1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene
CID 86190346
3-bromo-5-chloro-2-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 20993634

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene?
The IUPAC name of 1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene (CID 58376578) is 1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene.
What is the SMILES notation for 1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene?
The canonical SMILES for 1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene is Cc1ccc(OCCOc2c(Cl)cc(C)cc2Cl)cc1.
What is the InChIKey of 1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene?
The InChIKey is APENJUNQGWVAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-11-3-5-13(6-4-11)19-7-8-20-16-14(17)9-12(2)10-15(16)18/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene?
1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene has a molecular weight of 311.21 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene is sourced from PubChem (CID 58376578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).