1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene

C16H18O — CID 15640186

IUPAC1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
SMILESCc1cccc(COCc2cccc(C)c2)c1
InChIInChI=1S/C16H18O/c1-13-5-3-7-15(9-13)11-17-12-16-8-4-6-14(2)10-16/h3-10H,11-12H2,1-2H3
InChIKeyBCAVDSGTTYREGF-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.02
Rot. Bonds4

About 1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene

1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene (PubChem CID 15640186) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
PubChem CID15640186
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
SMILESCc1cccc(COCc2cccc(C)c2)c1
InChIInChI=1S/C16H18O/c1-13-5-3-7-15(9-13)11-17-12-16-8-4-6-14(2)10-16/h3-10H,11-12H2,1-2H3
InChIKeyBCAVDSGTTYREGF-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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Related Compounds

N-methyl-1-[(3-methylphenyl)methoxy]methanamine
CID 142182109
1-(2,2-dimethylpropoxymethyl)-3-methylbenzene
CID 91703784
1-(hexoxymethyl)-3-methylbenzene
CID 91805813
1-methyl-3-(propan-2-yloxymethyl)benzene
CID 10464662
(2S)-1-[(3-methylphenyl)methoxy]butan-2-amine
CID 97057916
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
CID 59201849
CID 59201849
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
N-benzyl-N-[(3-methylphenyl)methoxy]-1-phenylmethanamine
CID 134927457
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
CID 22967275
2-methyl-2-[(3-methylphenyl)methoxy]propan-1-amine
CID 65053223
(3-methylphenyl)methyl N-methylethanimidate
CID 167446851

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene?
The IUPAC name of 1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene (CID 15640186) is 1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene.
What is the SMILES notation for 1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene?
The canonical SMILES for 1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene is Cc1cccc(COCc2cccc(C)c2)c1.
What is the InChIKey of 1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene?
The InChIKey is BCAVDSGTTYREGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-13-5-3-7-15(9-13)11-17-12-16-8-4-6-14(2)10-16/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene?
1-methyl-3-[(3-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-3-[(3-methylphenyl)methoxymethyl]benzene is sourced from PubChem (CID 15640186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).