1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene

C12H18O2 — CID 70670788

IUPAC1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
SMILESCOCc1ccc(COC(C)C)cc1
InChIInChI=1S/C12H18O2/c1-10(2)14-9-12-6-4-11(5-7-12)8-13-3/h4-7,10H,8-9H2,1-3H3
InChIKeyAOLZLLYUJHREJN-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.76
Rot. Bonds5

About 1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene

1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene (PubChem CID 70670788) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
PubChem CID70670788
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
SMILESCOCc1ccc(COC(C)C)cc1
InChIInChI=1S/C12H18O2/c1-10(2)14-9-12-6-4-11(5-7-12)8-13-3/h4-7,10H,8-9H2,1-3H3
InChIKeyAOLZLLYUJHREJN-UHFFFAOYSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
4-(propan-2-yloxymethyl)pyridine
CID 14442204
1-[[chloro-[4-(methoxymethyl)phenyl]methoxy]methyl]-4-(methoxymethyl)benzene
CID 57023447
4-(propan-2-yloxymethyl)benzonitrile
CID 15647231
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine
CID 105349506
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
CID 67583384
1-ethyl-4-[[4-(propan-2-yloxymethyl)phenoxy]methyl]benzene
CID 142493435
ethane;N-ethyl-4-(propan-2-yloxymethyl)aniline
CID 176948818
1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene
CID 91726745
1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene
CID 116932253
2,7-bis(propan-2-yloxymethyl)anthracene
CID 176781411

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene?
The IUPAC name of 1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene (CID 70670788) is 1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene.
What is the SMILES notation for 1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene?
The canonical SMILES for 1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene is COCc1ccc(COC(C)C)cc1.
What is the InChIKey of 1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene?
The InChIKey is AOLZLLYUJHREJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-10(2)14-9-12-6-4-11(5-7-12)8-13-3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene?
1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene has a molecular weight of 194.27 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene is sourced from PubChem (CID 70670788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).