4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene

C15H15ClO — CID 64764553

IUPAC4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene
SMILESCc1ccc(COc2cccc(Cl)c2)cc1C
InChIInChI=1S/C15H15ClO/c1-11-6-7-13(8-12(11)2)10-17-15-5-3-4-14(16)9-15/h3-9H,10H2,1-2H3
InChIKeyUMSWFTYKGPQRQJ-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.54
Rot. Bonds3

About 4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene

4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene (PubChem CID 64764553) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene
PubChem CID64764553
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene
SMILESCc1ccc(COc2cccc(Cl)c2)cc1C
InChIInChI=1S/C15H15ClO/c1-11-6-7-13(8-12(11)2)10-17-15-5-3-4-14(16)9-15/h3-9H,10H2,1-2H3
InChIKeyUMSWFTYKGPQRQJ-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol
CID 105081897
2-chloro-4-[(3-chlorophenoxy)methyl]aniline
CID 117220338
(1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol
CID 55190777
4-(3-chlorophenoxy)-1,2-dimethylbenzene
CID 70594513
5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104574
3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76909555
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
(2S)-2-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528397
1-(bromomethoxy)-3-chlorobenzene
CID 22961199

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene (CID 64764553) is 4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene is Cc1ccc(COc2cccc(Cl)c2)cc1C.
What is the InChIKey of 4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene?
The InChIKey is UMSWFTYKGPQRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c1-11-6-7-13(8-12(11)2)10-17-15-5-3-4-14(16)9-15/h3-9H,10H2,1-2H3.
What are the key properties of 4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene?
4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene has a molecular weight of 246.74 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene is sourced from PubChem (CID 64764553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).