1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol

C12H14O3 — CID 117294676

IUPAC1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol
SMILESOC1(Cc2cccc3c2OCOC3)CC1
InChIInChI=1S/C12H14O3/c13-12(4-5-12)6-9-2-1-3-10-7-14-8-15-11(9)10/h1-3,13H,4-8H2
InChIKeyWESKKACBGWMCNY-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.62
Rot. Bonds2

About 1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol

1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol (PubChem CID 117294676) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol
PubChem CID117294676
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol
SMILESOC1(Cc2cccc3c2OCOC3)CC1
InChIInChI=1S/C12H14O3/c13-12(4-5-12)6-9-2-1-3-10-7-14-8-15-11(9)10/h1-3,13H,4-8H2
InChIKeyWESKKACBGWMCNY-UHFFFAOYSA-N
XLogP1.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-bromo-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol
CID 117458860
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol
CID 117354002
2-(4H-1,3-benzodioxin-8-yl)ethanamine
CID 82409644
2-(4H-1,3-benzodioxin-8-yl)acetaldehyde
CID 83874823
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
CID 117311226
3-(4H-1,3-benzodioxin-8-yl)propanal
CID 117282869
1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
CID 117292711
3-(4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-amine
CID 83883224
1-[(6-fluoro-4H-1,3-benzodioxin-5-yl)methyl]cyclopropan-1-ol
CID 117321540
1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)cyclopropan-1-ol
CID 117291079
2-(3,5-dihydro-2H-1,4-benzodioxepin-9-yl)acetic acid
CID 83834040
8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine
CID 143586852

Frequently Asked Questions

What is the IUPAC name of 1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol?
The IUPAC name of 1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol (CID 117294676) is 1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol?
The canonical SMILES for 1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol is OC1(Cc2cccc3c2OCOC3)CC1.
What is the InChIKey of 1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol?
The InChIKey is WESKKACBGWMCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-12(4-5-12)6-9-2-1-3-10-7-14-8-15-11(9)10/h1-3,13H,4-8H2.
What are the key properties of 1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol?
1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol has a molecular weight of 206.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol is sourced from PubChem (CID 117294676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).