2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene

C18H22O — CID 143940688

IUPAC2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene
SMILESCOc1cccc(C)c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22O/c1-13-7-6-8-16(19-5)17(13)14-9-11-15(12-10-14)18(2,3)4/h6-12H,1-5H3
InChIKeyLBWUIQIRQMWHIP-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.97
Rot. Bonds2

About 2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene

2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene (PubChem CID 143940688) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene
PubChem CID143940688
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene
SMILESCOc1cccc(C)c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22O/c1-13-7-6-8-16(19-5)17(13)14-9-11-15(12-10-14)18(2,3)4/h6-12H,1-5H3
InChIKeyLBWUIQIRQMWHIP-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene
CID 134631184
2-[4-(2-fluoro-6-methoxyphenyl)phenyl]-2-methylpropanamide
CID 56713578
2-(4-tert-butylphenyl)-3-methylbenzenecarbothioic S-acid
CID 151821656
2-(2-methoxy-6-methylphenyl)pyrimidine
CID 166845053
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
1,4-bis(2,6-dimethylphenyl)-2,5-dimethoxybenzene
CID 156631925
6-(4-tert-butylphenyl)-3-methoxypyridin-2-amine
CID 82556285
2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde
CID 175847419
1-[2-[2-(3,5-dimethylphenyl)-3-methylphenoxy]-6-methylphenyl]-3,5-dimethylbenzene
CID 70372863
[2-(3-tert-butylphenyl)-3-methylphenyl] hydrogen carbonate
CID 150763593
1-(methoxymethoxy)-3-methyl-2-phenylbenzene
CID 58214661

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene?
The IUPAC name of 2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene (CID 143940688) is 2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene is COc1cccc(C)c1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene?
The InChIKey is LBWUIQIRQMWHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-13-7-6-8-16(19-5)17(13)14-9-11-15(12-10-14)18(2,3)4/h6-12H,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene?
2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene has a molecular weight of 254.37 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene is sourced from PubChem (CID 143940688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).