1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene

C18H22O — CID 59416571

IUPAC1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
SMILESCc1ccccc1OCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22O/c1-14-7-5-6-8-17(14)19-13-15-9-11-16(12-10-15)18(2,3)4/h5-12H,13H2,1-4H3
InChIKeyAYLAYLCDAHEQNA-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.87
Rot. Bonds3

About 1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene

1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene (PubChem CID 59416571) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
PubChem CID59416571
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
SMILESCc1ccccc1OCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22O/c1-14-7-5-6-8-17(14)19-13-15-9-11-16(12-10-15)18(2,3)4/h5-12H,13H2,1-4H3
InChIKeyAYLAYLCDAHEQNA-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene
CID 60627116
2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 22359834
1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43277189
1-(bromomethyl)-4-(trifluoromethyl)benzene;2-methylphenol;1-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 157147743
1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone
CID 20716241
1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997714
2-[2-[(4-tert-butylphenyl)methoxy]phenyl]acetaldehyde;ethane
CID 144777042
[2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine
CID 115951807
N-[[4-[(2-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62452911
4-[(4-tert-butyl-2-methylphenoxy)methyl]benzonitrile
CID 43237648
5-[(2-methylphenoxy)methyl]pyridin-2-amine
CID 62195123
2-(4-tert-butylphenyl)-3-phenylmethoxypyridine
CID 174613488

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene?
The IUPAC name of 1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene (CID 59416571) is 1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene?
The canonical SMILES for 1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene is Cc1ccccc1OCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene?
The InChIKey is AYLAYLCDAHEQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-14-7-5-6-8-17(14)19-13-15-9-11-16(12-10-15)18(2,3)4/h5-12H,13H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene?
1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene has a molecular weight of 254.37 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene is sourced from PubChem (CID 59416571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).