4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene

C18H22O — CID 21034216

IUPAC4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene
SMILESCOc1ccc(-c2ccc(C(C)C)c(C)c2)c(C)c1
InChIInChI=1S/C18H22O/c1-12(2)17-8-6-15(10-13(17)3)18-9-7-16(19-5)11-14(18)4/h6-12H,1-5H3
InChIKeyCUBDTRYCWMTMIW-UHFFFAOYSA-N
MW254.37 g/mol
LogP5.10
Rot. Bonds3

About 4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene

4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene (PubChem CID 21034216) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene
PubChem CID21034216
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene
SMILESCOc1ccc(-c2ccc(C(C)C)c(C)c2)c(C)c1
InChIInChI=1S/C18H22O/c1-12(2)17-8-6-15(10-13(17)3)18-9-7-16(19-5)11-14(18)4/h6-12H,1-5H3
InChIKeyCUBDTRYCWMTMIW-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.37
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-methoxy-2-propan-2-ylphenyl)-2-methylphenol
CID 167587585
2-methoxy-4-(4-methoxy-2-methylphenyl)phenol
CID 53220857
1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 43482752
1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene
CID 59664827
4-methoxy-2-phenyl-1-propan-2-ylbenzene
CID 118344819
2-methoxy-1-(methoxymethyl)-4-(4-methoxy-2-methylphenyl)benzene
CID 143812999
(3-methyl-4-propan-2-ylphenyl) 4-methoxybenzoate
CID 23240007
2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde
CID 54910260
3-methoxy-5-(4-methoxy-2-methylphenyl)phenol
CID 53220859
(3-methyl-4-propan-2-ylphenyl) 2-bromo-5-methoxybenzoate
CID 7927182
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
2-chloro-4-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226266

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene?
The IUPAC name of 4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene (CID 21034216) is 4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene?
The canonical SMILES for 4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene is COc1ccc(-c2ccc(C(C)C)c(C)c2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene?
The InChIKey is CUBDTRYCWMTMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-12(2)17-8-6-15(10-13(17)3)18-9-7-16(19-5)11-14(18)4/h6-12H,1-5H3.
What are the key properties of 4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene?
4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene has a molecular weight of 254.37 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 21034216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).