1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanol

C13H16O3 — CID 83690712

IUPAC1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanol
SMILESCC(O)C1(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C13H16O3/c1-9(14)13(4-5-13)10-2-3-11-12(8-10)16-7-6-15-11/h2-3,8-9,14H,4-7H2,1H3
InChIKeyGZUVTXPAVOVWIF-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.87
Rot. Bonds2

About 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanol

1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanol (PubChem CID 83690712) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanol
PubChem CID83690712
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanol
SMILESCC(O)C1(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C13H16O3/c1-9(14)13(4-5-13)10-2-3-11-12(8-10)16-7-6-15-11/h2-3,8-9,14H,4-7H2,1H3
InChIKeyGZUVTXPAVOVWIF-UHFFFAOYSA-N
XLogP1.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 19973671
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113198614
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopropyl]methanol
CID 116963432
6-(2-methyl-1,3-dioxan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 82129515
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-methylbutanamide
CID 51283138
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide
CID 146106549
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide
CID 113091236
4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride
CID 172907265
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylcyclopentan-1-one
CID 116538559
3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol
CID 63586788

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanol?
The IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanol (CID 83690712) is 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanol?
The canonical SMILES for 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanol is CC(O)C1(c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanol?
The InChIKey is GZUVTXPAVOVWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9(14)13(4-5-13)10-2-3-11-12(8-10)16-7-6-15-11/h2-3,8-9,14H,4-7H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanol?
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanol has a molecular weight of 220.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanol is sourced from PubChem (CID 83690712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).