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

C12H18O2 — CID 11206354

IUPAC1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCOc1ccc(COC(C)(C)C)cc1
InChIInChI=1S/C12H18O2/c1-12(2,3)14-9-10-5-7-11(13-4)8-6-10/h5-8H,9H2,1-4H3
InChIKeyNFQFZBVGVVLUJS-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.01
Rot. Bonds3

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

1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene (PubChem CID 11206354) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
PubChem CID11206354
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCOc1ccc(COC(C)(C)C)cc1
InChIInChI=1S/C12H18O2/c1-12(2,3)14-9-10-5-7-11(13-4)8-6-10/h5-8H,9H2,1-4H3
InChIKeyNFQFZBVGVVLUJS-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
CID 20768954
1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 12709980
1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 10932990
methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate
CID 59570909
ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 144538467
5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol
CID 102289994
1-methoxy-4-[2-[(2-methylpropan-2-yl)oxymethoxy]ethyl]benzene
CID 155931293
(4-methoxyphenyl)methyl hypobromite
CID 166766888
ethane;methanethiol;1-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 142276005
1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 18711783
methane;O-[(4-methoxyphenyl)methyl]hydroxylamine
CID 142048761
tetrakis[(4-methoxyphenyl)methoxy]boranuide
CID 101479355

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
The IUPAC name of 1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene (CID 11206354) is 1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
The canonical SMILES for 1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene is COc1ccc(COC(C)(C)C)cc1.
What is the InChIKey of 1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
The InChIKey is NFQFZBVGVVLUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-12(2,3)14-9-10-5-7-11(13-4)8-6-10/h5-8H,9H2,1-4H3.
What are the key properties of 1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene has a molecular weight of 194.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene is sourced from PubChem (CID 11206354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).