1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene

C16H18O — CID 58414082

IUPAC1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene
SMILESCc1ccc(COCc2ccccc2C)cc1
InChIInChI=1S/C16H18O/c1-13-7-9-15(10-8-13)11-17-12-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3
InChIKeyKLGWNYRAHURQDU-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.02
Rot. Bonds4

About 1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene

1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene (PubChem CID 58414082) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene
PubChem CID58414082
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene
SMILESCc1ccc(COCc2ccccc2C)cc1
InChIInChI=1S/C16H18O/c1-13-7-9-15(10-8-13)11-17-12-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3
InChIKeyKLGWNYRAHURQDU-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene?
The IUPAC name of 1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene (CID 58414082) is 1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene.
What is the SMILES notation for 1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene?
The canonical SMILES for 1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene is Cc1ccc(COCc2ccccc2C)cc1.
What is the InChIKey of 1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene?
The InChIKey is KLGWNYRAHURQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-13-7-9-15(10-8-13)11-17-12-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene?
1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene has a molecular weight of 226.32 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene is sourced from PubChem (CID 58414082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).