2-(2,2-dimethylpropyl)-1-(3-methoxyphenyl)-4-methylbenzene

C19H24O — CID 156844169

IUPAC2-(2,2-dimethylpropyl)-1-(3-methoxyphenyl)-4-methylbenzene
SMILESCOc1cccc(-c2ccc(C)cc2CC(C)(C)C)c1
InChIInChI=1S/C19H24O/c1-14-9-10-18(16(11-14)13-19(2,3)4)15-7-6-8-17(12-15)20-5/h6-12H,13H2,1-5H3
InChIKeyAZJPJZWDBBRBFD-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.26
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-1-(3-methoxyphenyl)-4-methylbenzene

2-(2,2-dimethylpropyl)-1-(3-methoxyphenyl)-4-methylbenzene (PubChem CID 156844169) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1-(3-methoxyphenyl)-4-methylbenzene.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1-(3-methoxyphenyl)-4-methylbenzene
PubChem CID156844169
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name2-(2,2-dimethylpropyl)-1-(3-methoxyphenyl)-4-methylbenzene
SMILESCOc1cccc(-c2ccc(C)cc2CC(C)(C)C)c1
InChIInChI=1S/C19H24O/c1-14-9-10-18(16(11-14)13-19(2,3)4)15-7-6-8-17(12-15)20-5/h6-12H,13H2,1-5H3
InChIKeyAZJPJZWDBBRBFD-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methoxyphenyl)-1,4-dimethylbenzene
CID 66641424
1-(3-methoxyphenyl)-7-methylnaphthalene
CID 59399527
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
1-ethynyl-2-(3-methoxyphenyl)-4-methylbenzene
CID 169408154
[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 172649070
[5-chloro-2-(3-methoxyphenyl)phenyl]methanamine
CID 66160491
2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
CID 66916575
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
hexadeca-2,4,6,8,10,12,14-heptayne;1-methoxy-3-(4-methylphenyl)benzene
CID 158800989
2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]aniline
CID 173372401
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1-(3-methoxyphenyl)-4-methylbenzene?
The IUPAC name of 2-(2,2-dimethylpropyl)-1-(3-methoxyphenyl)-4-methylbenzene (CID 156844169) is 2-(2,2-dimethylpropyl)-1-(3-methoxyphenyl)-4-methylbenzene.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1-(3-methoxyphenyl)-4-methylbenzene?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1-(3-methoxyphenyl)-4-methylbenzene is COc1cccc(-c2ccc(C)cc2CC(C)(C)C)c1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1-(3-methoxyphenyl)-4-methylbenzene?
The InChIKey is AZJPJZWDBBRBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-14-9-10-18(16(11-14)13-19(2,3)4)15-7-6-8-17(12-15)20-5/h6-12H,13H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1-(3-methoxyphenyl)-4-methylbenzene?
2-(2,2-dimethylpropyl)-1-(3-methoxyphenyl)-4-methylbenzene has a molecular weight of 268.40 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1-(3-methoxyphenyl)-4-methylbenzene is sourced from PubChem (CID 156844169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).