2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene

C17H20O — CID 71397696

IUPAC2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene
SMILESCOc1c(C)cc(Cc2ccc(C)cc2)cc1C
InChIInChI=1S/C17H20O/c1-12-5-7-15(8-6-12)11-16-9-13(2)17(18-4)14(3)10-16/h5-10H,11H2,1-4H3
InChIKeyCLGFBRVXSBXNLO-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.21
Rot. Bonds3

About 2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene

2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene (PubChem CID 71397696) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene
PubChem CID71397696
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene
SMILESCOc1c(C)cc(Cc2ccc(C)cc2)cc1C
InChIInChI=1S/C17H20O/c1-12-5-7-15(8-6-12)11-16-9-13(2)17(18-4)14(3)10-16/h5-10H,11H2,1-4H3
InChIKeyCLGFBRVXSBXNLO-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

1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 20750468
[4-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenyl] benzoate
CID 23593069
[4-(4-methoxy-3,5-dimethylphenyl)-2,6-dimethylphenyl] acetate;[4-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenyl] acetate
CID 164961586
magnesium;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide
CID 51346710
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
2,6-bis[(4-methylphenyl)methyl]naphthalene
CID 58774647
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 22492711
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
1-chloro-4-(4-chlorophenyl)sulfonylbenzene;5-[[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]-2-methoxy-1,3-dimethylbenzene;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;methane
CID 165032541

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene?
The IUPAC name of 2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene (CID 71397696) is 2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene.
What is the SMILES notation for 2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene?
The canonical SMILES for 2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene is COc1c(C)cc(Cc2ccc(C)cc2)cc1C.
What is the InChIKey of 2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene?
The InChIKey is CLGFBRVXSBXNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-12-5-7-15(8-6-12)11-16-9-13(2)17(18-4)14(3)10-16/h5-10H,11H2,1-4H3.
What are the key properties of 2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene?
2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene 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-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene is sourced from PubChem (CID 71397696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).