2-[methoxy(phenyl)methyl]-1,3-dimethylbenzene

C16H18O — CID 117071500

IUPAC2-[methoxy(phenyl)methyl]-1,3-dimethylbenzene
SMILESCOC(c1ccccc1)c1c(C)cccc1C
InChIInChI=1S/C16H18O/c1-12-8-7-9-13(2)15(12)16(17-3)14-10-5-4-6-11-14/h4-11,16H,1-3H3
InChIKeyQDPAMMQFRJSFBV-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.04
Rot. Bonds3

About 2-[methoxy(phenyl)methyl]-1,3-dimethylbenzene

2-[methoxy(phenyl)methyl]-1,3-dimethylbenzene (PubChem CID 117071500) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[methoxy(phenyl)methyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[methoxy(phenyl)methyl]-1,3-dimethylbenzene
PubChem CID117071500
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name2-[methoxy(phenyl)methyl]-1,3-dimethylbenzene
SMILESCOC(c1ccccc1)c1c(C)cccc1C
InChIInChI=1S/C16H18O/c1-12-8-7-9-13(2)15(12)16(17-3)14-10-5-4-6-11-14/h4-11,16H,1-3H3
InChIKeyQDPAMMQFRJSFBV-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(phenyl)methyl]-1,3-dimethylbenzene?
The IUPAC name of 2-[methoxy(phenyl)methyl]-1,3-dimethylbenzene (CID 117071500) is 2-[methoxy(phenyl)methyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[methoxy(phenyl)methyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-[methoxy(phenyl)methyl]-1,3-dimethylbenzene is COC(c1ccccc1)c1c(C)cccc1C.
What is the InChIKey of 2-[methoxy(phenyl)methyl]-1,3-dimethylbenzene?
The InChIKey is QDPAMMQFRJSFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-12-8-7-9-13(2)15(12)16(17-3)14-10-5-4-6-11-14/h4-11,16H,1-3H3.
What are the key properties of 2-[methoxy(phenyl)methyl]-1,3-dimethylbenzene?
2-[methoxy(phenyl)methyl]-1,3-dimethylbenzene has a molecular weight of 226.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(phenyl)methyl]-1,3-dimethylbenzene is sourced from PubChem (CID 117071500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).