1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol

C13H16O3 — CID 117314324

IUPAC1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol
SMILESCCc1cc2c(cc1C1(O)CC1)OCCO2
InChIInChI=1S/C13H16O3/c1-2-9-7-11-12(16-6-5-15-11)8-10(9)13(14)3-4-13/h7-8,14H,2-6H2,1H3
InChIKeyYFCKWHKYJNBDFO-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.00
Rot. Bonds2

About 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol

1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol (PubChem CID 117314324) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol
PubChem CID117314324
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol
SMILESCCc1cc2c(cc1C1(O)CC1)OCCO2
InChIInChI=1S/C13H16O3/c1-2-9-7-11-12(16-6-5-15-11)8-10(9)13(14)3-4-13/h7-8,14H,2-6H2,1H3
InChIKeyYFCKWHKYJNBDFO-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxylic acid
CID 117410193
1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylic acid
CID 117442420
1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1-carboxylic acid
CID 117469168
1-[1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanamine
CID 117371392
7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 155120601
2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 84687648
5-chloro-6-ethyl-1,3-benzodioxole;ethane
CID 176955593
1-[(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]cyclopropan-1-amine
CID 117371333
1-[8-(difluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]cyclopropan-1-ol
CID 117393679
2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid
CID 117445927
2-ethyl-4-(1-hydroxycyclopropyl)-5-methylphenol
CID 117283106
2-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropan-1-ol
CID 117379576

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol?
The IUPAC name of 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol (CID 117314324) is 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol is CCc1cc2c(cc1C1(O)CC1)OCCO2.
What is the InChIKey of 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol?
The InChIKey is YFCKWHKYJNBDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-2-9-7-11-12(16-6-5-15-11)8-10(9)13(14)3-4-13/h7-8,14H,2-6H2,1H3.
What are the key properties of 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol?
1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol has a molecular weight of 220.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol is sourced from PubChem (CID 117314324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).