2-methoxy-1,4-dimethyl-3,5-diphenylbenzene

C21H20O — CID 173306181

IUPAC2-methoxy-1,4-dimethyl-3,5-diphenylbenzene
SMILESCOc1c(C)cc(-c2ccccc2)c(C)c1-c1ccccc1
InChIInChI=1S/C21H20O/c1-15-14-19(17-10-6-4-7-11-17)16(2)20(21(15)22-3)18-12-8-5-9-13-18/h4-14H,1-3H3
InChIKeyUPQUUKMFHIMYFZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.65
Rot. Bonds3

About 2-methoxy-1,4-dimethyl-3,5-diphenylbenzene

2-methoxy-1,4-dimethyl-3,5-diphenylbenzene (PubChem CID 173306181) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-methoxy-1,4-dimethyl-3,5-diphenylbenzene.

Molecular Properties

Compound Name2-methoxy-1,4-dimethyl-3,5-diphenylbenzene
PubChem CID173306181
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name2-methoxy-1,4-dimethyl-3,5-diphenylbenzene
SMILESCOc1c(C)cc(-c2ccccc2)c(C)c1-c1ccccc1
InChIInChI=1S/C21H20O/c1-15-14-19(17-10-6-4-7-11-17)16(2)20(21(15)22-3)18-12-8-5-9-13-18/h4-14H,1-3H3
InChIKeyUPQUUKMFHIMYFZ-UHFFFAOYSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386
4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene
CID 173306143
1,2,4,5-tetramethoxy-3-methyl-6-phenylbenzene
CID 90709146
5-methoxy-1,2-dimethyl-3-phenylbenzene
CID 67554747
2-methoxy-5,6-dimethyl-3-phenylbenzoic acid
CID 175512460
1-methoxy-4-methyl-2,5-diphenylbenzene
CID 20717375
2-methoxy-1,3-diphenylbenzene
CID 23524590
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
hydrazine;1,2,3,4-tetramethyl-5-phenylbenzene
CID 174461689
2-methyl-4-(4-methylphenyl)-1-phenylnaphthalene
CID 46919083
4-methoxy-2,5-diphenylbenzene-1,3-diol
CID 53244203
9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene
CID 140762183

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,4-dimethyl-3,5-diphenylbenzene?
The IUPAC name of 2-methoxy-1,4-dimethyl-3,5-diphenylbenzene (CID 173306181) is 2-methoxy-1,4-dimethyl-3,5-diphenylbenzene.
What is the SMILES notation for 2-methoxy-1,4-dimethyl-3,5-diphenylbenzene?
The canonical SMILES for 2-methoxy-1,4-dimethyl-3,5-diphenylbenzene is COc1c(C)cc(-c2ccccc2)c(C)c1-c1ccccc1.
What is the InChIKey of 2-methoxy-1,4-dimethyl-3,5-diphenylbenzene?
The InChIKey is UPQUUKMFHIMYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O/c1-15-14-19(17-10-6-4-7-11-17)16(2)20(21(15)22-3)18-12-8-5-9-13-18/h4-14H,1-3H3.
What are the key properties of 2-methoxy-1,4-dimethyl-3,5-diphenylbenzene?
2-methoxy-1,4-dimethyl-3,5-diphenylbenzene has a molecular weight of 288.39 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,4-dimethyl-3,5-diphenylbenzene is sourced from PubChem (CID 173306181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).