5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene

C12H16O2 — CID 130057399

IUPAC5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene
SMILESCOc1c(C)cc(OC2CC2)cc1C
InChIInChI=1S/C12H16O2/c1-8-6-11(14-10-4-5-10)7-9(2)12(8)13-3/h6-7,10H,4-5H2,1-3H3
InChIKeyXZDHAEMJYSBBJG-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.85
Rot. Bonds3

About 5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene

5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene (PubChem CID 130057399) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene
PubChem CID130057399
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene
SMILESCOc1c(C)cc(OC2CC2)cc1C
InChIInChI=1S/C12H16O2/c1-8-6-11(14-10-4-5-10)7-9(2)12(8)13-3/h6-7,10H,4-5H2,1-3H3
InChIKeyXZDHAEMJYSBBJG-UHFFFAOYSA-N
XLogP2.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3,5-dimethylphenoxy)cycloheptane
CID 107723724
4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride
CID 86704242
4-(4-bromo-3,5-dimethylphenoxy)piperidine
CID 107724469
(4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 114518942
(2R)-2-(4-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 66518898
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine
CID 84686830
(4-methoxy-3,5-dimethylphenyl)-methyliodanium
CID 22251529
(1S,5R)-3-(3,4,5-trimethylphenoxy)-9-azabicyclo[3.3.1]nonane
CID 58878572
4-(4-methoxy-3,5-dimethylphenyl)cyclohexan-1-amine
CID 116962622
(2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride
CID 171196939
5-[bromo(cyclopropyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83068810

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene?
The IUPAC name of 5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene (CID 130057399) is 5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene.
What is the SMILES notation for 5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene?
The canonical SMILES for 5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene is COc1c(C)cc(OC2CC2)cc1C.
What is the InChIKey of 5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene?
The InChIKey is XZDHAEMJYSBBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-6-11(14-10-4-5-10)7-9(2)12(8)13-3/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene?
5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene has a molecular weight of 192.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene is sourced from PubChem (CID 130057399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).