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

C15H14Cl2O — CID 107310416

IUPAC1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene
SMILESCc1cccc(OCc2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C15H14Cl2O/c1-10-5-3-8-14(11(10)2)18-9-12-6-4-7-13(16)15(12)17/h3-8H,9H2,1-2H3
InChIKeyFLFHRFSKERVQAR-UHFFFAOYSA-N
MW281.18 g/mol
LogP5.19
Rot. Bonds3

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

1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene (PubChem CID 107310416) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is 1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene
PubChem CID107310416
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene
SMILESCc1cccc(OCc2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C15H14Cl2O/c1-10-5-3-8-14(11(10)2)18-9-12-6-4-7-13(16)15(12)17/h3-8H,9H2,1-2H3
InChIKeyFLFHRFSKERVQAR-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

2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine
CID 115464752
2-[(2-chlorophenyl)methoxy]-6-methylaniline
CID 43438077
2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline
CID 107305411
3-chloro-4-[(2,3-dimethylphenoxy)methyl]benzonitrile
CID 102665776
2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]acetonitrile
CID 22356632
1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
CID 107310396
(1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 107306815
(NZ)-N-[1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 107306639
3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656853
3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464069
1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 107305765
(1R)-1-[2-[(2,3-dichlorophenyl)methoxy]-5-methylphenyl]ethanol
CID 107306824

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene?
The IUPAC name of 1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene (CID 107310416) is 1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene.
What is the SMILES notation for 1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene?
The canonical SMILES for 1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene is Cc1cccc(OCc2cccc(Cl)c2Cl)c1C.
What is the InChIKey of 1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene?
The InChIKey is FLFHRFSKERVQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O/c1-10-5-3-8-14(11(10)2)18-9-12-6-4-7-13(16)15(12)17/h3-8H,9H2,1-2H3.
What are the key properties of 1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene?
1,2-dichloro-3-[(2,3-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 1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene is sourced from PubChem (CID 107310416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).