1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene

C12H18O — CID 12709980

IUPAC1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCc1ccc(COC(C)(C)C)cc1
InChIInChI=1S/C12H18O/c1-10-5-7-11(8-6-10)9-13-12(2,3)4/h5-8H,9H2,1-4H3
InChIKeyXPBAWVZOICDIPN-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.31
Rot. Bonds2

About 1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene

1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene (PubChem CID 12709980) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
PubChem CID12709980
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCc1ccc(COC(C)(C)C)cc1
InChIInChI=1S/C12H18O/c1-10-5-7-11(8-6-10)9-13-12(2,3)4/h5-8H,9H2,1-4H3
InChIKeyXPBAWVZOICDIPN-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 144538467
1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 10932990
2-methyl-2-[(4-methylphenyl)methoxy]propan-1-amine
CID 65053113
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
(4-methylphenyl)methyl hypochlorite
CID 174764062
4-[(2-methylpropan-2-yl)oxymethyl]benzoic acid
CID 4694749
tert-butyl (4-methylphenyl)methyl carbonate
CID 25140703
4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline
CID 146626149
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
ethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene
CID 144864850

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
The IUPAC name of 1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene (CID 12709980) is 1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene.
What is the SMILES notation for 1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
The canonical SMILES for 1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene is Cc1ccc(COC(C)(C)C)cc1.
What is the InChIKey of 1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
The InChIKey is XPBAWVZOICDIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-10-5-7-11(8-6-10)9-13-12(2,3)4/h5-8H,9H2,1-4H3.
What are the key properties of 1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene has a molecular weight of 178.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene is sourced from PubChem (CID 12709980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).