3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine

C12H14O3 — CID 154037863

IUPAC3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine
SMILESCOc1cccc2c1OC(C1CC1)CO2
InChIInChI=1S/C12H14O3/c1-13-9-3-2-4-10-12(9)15-11(7-14-10)8-5-6-8/h2-4,8,11H,5-7H2,1H3
InChIKeyKEVVBSAOZWMEKB-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.24
Rot. Bonds2

About 3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine

3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine (PubChem CID 154037863) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine
PubChem CID154037863
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine
SMILESCOc1cccc2c1OC(C1CC1)CO2
InChIInChI=1S/C12H14O3/c1-13-9-3-2-4-10-12(9)15-11(7-14-10)8-5-6-8/h2-4,8,11H,5-7H2,1H3
InChIKeyKEVVBSAOZWMEKB-UHFFFAOYSA-N
XLogP2.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methoxy-2,3-dihydro-1,4-benzodioxine
CID 167513731
2-(2,6-dimethoxyphenoxy)-N-[[(3S)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamine chloride
CID 71533073
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 19079015
[5-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 12002315
4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119057116
5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine
CID 150335544
(10bS)-10-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine
CID 70275125
(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 59185838
5-methoxy-3,4-dihydro-2H-1,4-benzoxazine-3-carboxylic acid
CID 117110701
N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 57001121
6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-methylamino]-N-(4-methoxyphenyl)hexanamide
CID 54065468
[(3R)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]methanol
CID 130660382

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine (CID 154037863) is 3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine is COc1cccc2c1OC(C1CC1)CO2.
What is the InChIKey of 3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine?
The InChIKey is KEVVBSAOZWMEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-13-9-3-2-4-10-12(9)15-11(7-14-10)8-5-6-8/h2-4,8,11H,5-7H2,1H3.
What are the key properties of 3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine?
3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine has a molecular weight of 206.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 154037863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).