2-(cyclopropylmethoxy)-1,4-dimethylbenzene

C24H32O2 — CID 160770501

IUPAC2-(cyclopropylmethoxy)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(OCC2CC2)c1.Cc1ccc(C)c(OCC2CC2)c1
InChIInChI=1S/2C12H16O/c2*1-9-3-4-10(2)12(7-9)13-8-11-5-6-11/h2*3-4,7,11H,5-6,8H2,1-2H3
InChIKeyRZGDRGYICHLCKM-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.18
Rot. Bonds6

About 2-(cyclopropylmethoxy)-1,4-dimethylbenzene

2-(cyclopropylmethoxy)-1,4-dimethylbenzene (PubChem CID 160770501) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1,4-dimethylbenzene
PubChem CID160770501
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Name2-(cyclopropylmethoxy)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(OCC2CC2)c1.Cc1ccc(C)c(OCC2CC2)c1
InChIInChI=1S/2C12H16O/c2*1-9-3-4-10(2)12(7-9)13-8-11-5-6-11/h2*3-4,7,11H,5-6,8H2,1-2H3
InChIKeyRZGDRGYICHLCKM-UHFFFAOYSA-N
XLogP6.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,5-dimethylphenoxy)methyl]oxetane
CID 116820130
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018
[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine
CID 107655653
[3-(cyclopropylmethoxy)-4-methylphenyl]methanediol
CID 123665502
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene
CID 71084107
(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine
CID 78947289
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
[2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid
CID 43560577
4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene
CID 134553642
1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol
CID 63907048

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1,4-dimethylbenzene?
The IUPAC name of 2-(cyclopropylmethoxy)-1,4-dimethylbenzene (CID 160770501) is 2-(cyclopropylmethoxy)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1,4-dimethylbenzene?
The canonical SMILES for 2-(cyclopropylmethoxy)-1,4-dimethylbenzene is Cc1ccc(C)c(OCC2CC2)c1.Cc1ccc(C)c(OCC2CC2)c1.
What is the InChIKey of 2-(cyclopropylmethoxy)-1,4-dimethylbenzene?
The InChIKey is RZGDRGYICHLCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H16O/c2*1-9-3-4-10(2)12(7-9)13-8-11-5-6-11/h2*3-4,7,11H,5-6,8H2,1-2H3.
What are the key properties of 2-(cyclopropylmethoxy)-1,4-dimethylbenzene?
2-(cyclopropylmethoxy)-1,4-dimethylbenzene has a molecular weight of 352.52 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1,4-dimethylbenzene is sourced from PubChem (CID 160770501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).