2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene

C17H20O — CID 160889677

IUPAC2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene
SMILESCOc1ccccc1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H20O/c1-12-9-13(2)16(14(3)10-12)11-15-7-5-6-8-17(15)18-4/h5-10H,11H2,1-4H3
InChIKeyFCRQFPGCGOYLIB-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.21
Rot. Bonds3

About 2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene

2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene (PubChem CID 160889677) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene
PubChem CID160889677
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene
SMILESCOc1ccccc1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H20O/c1-12-9-13(2)16(14(3)10-12)11-15-7-5-6-8-17(15)18-4/h5-10H,11H2,1-4H3
InChIKeyFCRQFPGCGOYLIB-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methoxy-2-[(2-methoxyphenyl)methyl]aniline
CID 13379479
[3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 62550020
2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol
CID 3742978
1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 106881379
2-(2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 82141447
1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78950239
[2-[(2-methoxyphenyl)methyl]phenyl]methylphosphane
CID 69335207
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
1,3,5-trimethyl-2-[[2-(1-phosphorosooxyethyl)phenyl]methyl]benzene
CID 67647859
5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole
CID 54077737
1-(3,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259657
(2-(111C)methoxyphenyl)methanol
CID 59897789

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene (CID 160889677) is 2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene is COc1ccccc1Cc1c(C)cc(C)cc1C.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene?
The InChIKey is FCRQFPGCGOYLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-12-9-13(2)16(14(3)10-12)11-15-7-5-6-8-17(15)18-4/h5-10H,11H2,1-4H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene?
2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene has a molecular weight of 240.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 160889677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).