1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene

C16H18O — CID 60644540

IUPAC1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
SMILESCc1cc(C)cc(COc2cccc(C)c2)c1
InChIInChI=1S/C16H18O/c1-12-5-4-6-16(10-12)17-11-15-8-13(2)7-14(3)9-15/h4-10H,11H2,1-3H3
InChIKeyRWNXBECJOZUZAA-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.19
Rot. Bonds3

About 1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene

1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene (PubChem CID 60644540) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
PubChem CID60644540
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
SMILESCc1cc(C)cc(COc2cccc(C)c2)c1
InChIInChI=1S/C16H18O/c1-12-5-4-6-16(10-12)17-11-15-8-13(2)7-14(3)9-15/h4-10H,11H2,1-3H3
InChIKeyRWNXBECJOZUZAA-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

3-[(3,5-dimethylphenyl)methoxy]aniline
CID 54909105
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
4-[(3-methylphenoxy)methyl]aniline
CID 16789694
1-iodo-4-[(3-methylphenoxy)methyl]benzene
CID 65490135
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
[3-[(3,5-dimethylphenyl)methoxy]phenyl]boronic acid
CID 54911074
[3-[(3-methylphenyl)methoxy]phenyl]hydrazine
CID 82081355
4-[(3-methylphenoxy)methyl]benzene-1,2-diol
CID 117220373
1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene
CID 164573942
N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine
CID 55077028
pentafluoro-[4-[(3-methylphenoxy)methyl]phenyl]-λ6-sulfane
CID 177287975
2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene
CID 117221819

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene?
The IUPAC name of 1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene (CID 60644540) is 1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene.
What is the SMILES notation for 1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene?
The canonical SMILES for 1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene is Cc1cc(C)cc(COc2cccc(C)c2)c1.
What is the InChIKey of 1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene?
The InChIKey is RWNXBECJOZUZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-12-5-4-6-16(10-12)17-11-15-8-13(2)7-14(3)9-15/h4-10H,11H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene?
1,3-dimethyl-5-[(3-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 1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene is sourced from PubChem (CID 60644540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).