1-cyclopropyl-2,3-dimethoxybenzene

C11H14O2 — CID 22923325

IUPAC1-cyclopropyl-2,3-dimethoxybenzene
SMILESCOc1cccc(C2CC2)c1OC
InChIInChI=1S/C11H14O2/c1-12-10-5-3-4-9(8-6-7-8)11(10)13-2/h3-5,8H,6-7H2,1-2H3
InChIKeyYJFIACMCBLONLV-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.58
Rot. Bonds3

About 1-cyclopropyl-2,3-dimethoxybenzene

1-cyclopropyl-2,3-dimethoxybenzene (PubChem CID 22923325) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-cyclopropyl-2,3-dimethoxybenzene.

Molecular Properties

Compound Name1-cyclopropyl-2,3-dimethoxybenzene
PubChem CID22923325
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-cyclopropyl-2,3-dimethoxybenzene
SMILESCOc1cccc(C2CC2)c1OC
InChIInChI=1S/C11H14O2/c1-12-10-5-3-4-9(8-6-7-8)11(10)13-2/h3-5,8H,6-7H2,1-2H3
InChIKeyYJFIACMCBLONLV-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
2-bromo-1-cyclopropyl-3-methoxybenzene
CID 130114065
(2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride
CID 171197120
4-(2,3-dimethoxyphenyl)pyrrolidin-2-one
CID 66106301
3-cyclopropyl-2-methoxybenzoic acid
CID 69106312
6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane
CID 83822143
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
(4R)-4-(2,3-dimethoxyphenyl)imidazolidin-2-one
CID 171252494
potassium;4-(2,3-dimethoxyphenyl)-1-hydroxypyrrolidin-2-one;hydride
CID 173253827
(4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one
CID 171184846
3-(2,3-dimethoxyphenyl)-2-methylidenecyclopentan-1-one
CID 139508683
[(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 94557662

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,3-dimethoxybenzene?
The IUPAC name of 1-cyclopropyl-2,3-dimethoxybenzene (CID 22923325) is 1-cyclopropyl-2,3-dimethoxybenzene.
What is the SMILES notation for 1-cyclopropyl-2,3-dimethoxybenzene?
The canonical SMILES for 1-cyclopropyl-2,3-dimethoxybenzene is COc1cccc(C2CC2)c1OC.
What is the InChIKey of 1-cyclopropyl-2,3-dimethoxybenzene?
The InChIKey is YJFIACMCBLONLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-12-10-5-3-4-9(8-6-7-8)11(10)13-2/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-2,3-dimethoxybenzene?
1-cyclopropyl-2,3-dimethoxybenzene has a molecular weight of 178.23 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,3-dimethoxybenzene is sourced from PubChem (CID 22923325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).