1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene

C15H14Cl2O — CID 925878

IUPAC1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
SMILESCc1ccc(OCc2c(Cl)cccc2Cl)cc1C
InChIInChI=1S/C15H14Cl2O/c1-10-6-7-12(8-11(10)2)18-9-13-14(16)4-3-5-15(13)17/h3-8H,9H2,1-2H3
InChIKeyQGHMWNXZGORHKG-UHFFFAOYSA-N
MW281.18 g/mol
LogP5.19
Rot. Bonds3

About 1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene

1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene (PubChem CID 925878) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is 1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
PubChem CID925878
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
SMILESCc1ccc(OCc2c(Cl)cccc2Cl)cc1C
InChIInChI=1S/C15H14Cl2O/c1-10-6-7-12(8-11(10)2)18-9-13-14(16)4-3-5-15(13)17/h3-8H,9H2,1-2H3
InChIKeyQGHMWNXZGORHKG-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-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene
CID 83133201
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
(E)-3-[5-[(2,6-dichlorophenyl)methoxy]-2-methylphenyl]-2-methylprop-2-enal
CID 142104995
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275
5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
CID 170608959
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane
CID 142233914
[3-chloro-2-[(3-chloro-4-methylphenoxy)methyl]phenyl] methyl carbonate
CID 122645571
1,3-dichloro-2-[(3-ethynylphenoxy)methyl]benzene
CID 91757458
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine
CID 62471198
2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine
CID 116519336

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene?
The IUPAC name of 1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene (CID 925878) is 1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene is Cc1ccc(OCc2c(Cl)cccc2Cl)cc1C.
What is the InChIKey of 1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene?
The InChIKey is QGHMWNXZGORHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O/c1-10-6-7-12(8-11(10)2)18-9-13-14(16)4-3-5-15(13)17/h3-8H,9H2,1-2H3.
What are the key properties of 1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene?
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]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 1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene is sourced from PubChem (CID 925878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).