1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol

C12H14O4 — CID 117317889

IUPAC1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
SMILESCOc1c(CC2(O)CC2)ccc2c1OCO2
InChIInChI=1S/C12H14O4/c1-14-10-8(6-12(13)4-5-12)2-3-9-11(10)16-7-15-9/h2-3,13H,4-7H2,1H3
InChIKeyZYIAHEZTIMHOMW-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.49
Rot. Bonds3

About 1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol

1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol (PubChem CID 117317889) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
PubChem CID117317889
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
SMILESCOc1c(CC2(O)CC2)ccc2c1OCO2
InChIInChI=1S/C12H14O4/c1-14-10-8(6-12(13)4-5-12)2-3-9-11(10)16-7-15-9/h2-3,13H,4-7H2,1H3
InChIKeyZYIAHEZTIMHOMW-UHFFFAOYSA-N
XLogP1.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-1,3-benzodioxol-5-yl)methanamine
CID 21294011
2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine
CID 11127161
1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol
CID 117317884
1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
CID 117342410
1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117349180
1-(4-methoxy-1,3-benzodioxol-5-yl)-2-methylpropan-2-amine
CID 117319983
2-(4-methoxy-1,3-benzodioxol-5-yl)ethanesulfonyl chloride
CID 84714862
5-(4-methoxy-1,3-benzodioxol-5-yl)pentanoic acid
CID 13170436
1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117314173
1-(4-methoxy-1,3-benzodioxol-5-yl)cyclobutan-1-amine
CID 117315660
1-[(2-bromo-3,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462934
6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
CID 117297255

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol (CID 117317889) is 1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol is COc1c(CC2(O)CC2)ccc2c1OCO2.
What is the InChIKey of 1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol?
The InChIKey is ZYIAHEZTIMHOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-14-10-8(6-12(13)4-5-12)2-3-9-11(10)16-7-15-9/h2-3,13H,4-7H2,1H3.
What are the key properties of 1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol?
1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol has a molecular weight of 222.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117317889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).