1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene

C16H18O — CID 60627928

IUPAC1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
SMILESCc1ccc(C)c(COc2ccccc2C)c1
InChIInChI=1S/C16H18O/c1-12-8-9-13(2)15(10-12)11-17-16-7-5-4-6-14(16)3/h4-10H,11H2,1-3H3
InChIKeyZZSSJXGDPKEXHF-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.19
Rot. Bonds3

About 1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene

1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene (PubChem CID 60627928) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
PubChem CID60627928
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
SMILESCc1ccc(C)c(COc2ccccc2C)c1
InChIInChI=1S/C16H18O/c1-12-8-9-13(2)15(10-12)11-17-16-7-5-4-6-14(16)3/h4-10H,11H2,1-3H3
InChIKeyZZSSJXGDPKEXHF-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 63364801
6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole
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2-[[2-(bromomethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 90113514
2-(bromomethyl)-1-chloro-3-[(2,5-dimethylphenyl)methoxy]benzene
CID 113276988
2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene
CID 104707496
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
1-[(2,5-dimethylphenoxy)methyl]naphthalene
CID 78906369
2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698949
1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
CID 82092576
6-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117185801
[2-[(2,5-dimethylphenyl)methoxy]-5-fluorophenyl]methanol
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2-[(2-methylphenoxy)methyl]aniline
CID 21191823

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene?
The IUPAC name of 1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene (CID 60627928) is 1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene.
What is the SMILES notation for 1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene?
The canonical SMILES for 1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene is Cc1ccc(C)c(COc2ccccc2C)c1.
What is the InChIKey of 1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene?
The InChIKey is ZZSSJXGDPKEXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-12-8-9-13(2)15(10-12)11-17-16-7-5-4-6-14(16)3/h4-10H,11H2,1-3H3.
What are the key properties of 1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene?
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene has a molecular weight of 226.32 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene is sourced from PubChem (CID 60627928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).