1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene

C15H14Cl2O — CID 78906184

IUPAC1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene
SMILESCc1cc(C)cc(COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H14Cl2O/c1-10-5-11(2)7-12(6-10)9-18-15-8-13(16)3-4-14(15)17/h3-8H,9H2,1-2H3
InChIKeyGSNAPIIQGUXLEW-UHFFFAOYSA-N
MW281.18 g/mol
LogP5.19
Rot. Bonds3

About 1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene

1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene (PubChem CID 78906184) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is 1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene
PubChem CID78906184
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene
SMILESCc1cc(C)cc(COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H14Cl2O/c1-10-5-11(2)7-12(6-10)9-18-15-8-13(16)3-4-14(15)17/h3-8H,9H2,1-2H3
InChIKeyGSNAPIIQGUXLEW-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.18
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dichloro-2-[(4-methylphenyl)methoxy]benzene
CID 71651492
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzonitrile
CID 114322735
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid
CID 63463866
[5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
CID 54910865
[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 22688669
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
[3-chloro-4-[(3,5-dimethylphenyl)methoxy]phenyl]methanamine
CID 54983856
[4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
CID 63881091
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497
3-[(2-chloro-5-methylphenoxy)methyl]-5-methoxyaniline
CID 81150488
3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 78807744
1,4-dichloro-2-(2,2-dimethylpropoxy)benzene
CID 66988103

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene?
The IUPAC name of 1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene (CID 78906184) is 1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene.
What is the SMILES notation for 1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene?
The canonical SMILES for 1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene is Cc1cc(C)cc(COc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene?
The InChIKey is GSNAPIIQGUXLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O/c1-10-5-11(2)7-12(6-10)9-18-15-8-13(16)3-4-14(15)17/h3-8H,9H2,1-2H3.
What are the key properties of 1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene?
1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene has a molecular weight of 281.18 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene is sourced from PubChem (CID 78906184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).