1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene

C13H18O — CID 139322901

IUPAC1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene
SMILESCOc1ccccc1C1CC1C(C)C
InChIInChI=1S/C13H18O/c1-9(2)11-8-12(11)10-6-4-5-7-13(10)14-3/h4-7,9,11-12H,8H2,1-3H3
InChIKeyXJFOYFRPFZVYFW-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.45
Rot. Bonds3

About 1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene

1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene (PubChem CID 139322901) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene.

Molecular Properties

Compound Name1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene
PubChem CID139322901
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene
SMILESCOc1ccccc1C1CC1C(C)C
InChIInChI=1S/C13H18O/c1-9(2)11-8-12(11)10-6-4-5-7-13(10)14-3/h4-7,9,11-12H,8H2,1-3H3
InChIKeyXJFOYFRPFZVYFW-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-2-(2-methylcyclopropyl)benzene
CID 12651013
cis-(1R,2R)-2-(2-methoxyphenyl)cyclopropan-1-amine
CID 39235873
(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine
CID 124550908
(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanol
CID 124552585
2-ethyl-3-(2-methoxyphenyl)cyclobutan-1-ol
CID 81416655
1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 43150374
1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 43150354
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
(1R)-1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079123
(1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 10848491
1-(2-isocyanatocyclopropyl)-2-methoxybenzene
CID 82075385
1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene
CID 101108843

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene?
The IUPAC name of 1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene (CID 139322901) is 1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene.
What is the SMILES notation for 1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene?
The canonical SMILES for 1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene is COc1ccccc1C1CC1C(C)C.
What is the InChIKey of 1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene?
The InChIKey is XJFOYFRPFZVYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-9(2)11-8-12(11)10-6-4-5-7-13(10)14-3/h4-7,9,11-12H,8H2,1-3H3.
What are the key properties of 1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene?
1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene has a molecular weight of 190.29 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene is sourced from PubChem (CID 139322901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).