1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol

C15H22O4 — CID 116711365

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol
SMILESCCCC(OCC)C(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22O4/c1-3-5-13(17-4-2)15(16)11-6-7-12-14(10-11)19-9-8-18-12/h6-7,10,13,15-16H,3-5,8-9H2,1-2H3
InChIKeyPCTGWCFVFLIDFG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.70
Rot. Bonds6

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol (PubChem CID 116711365) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol
PubChem CID116711365
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol
SMILESCCCC(OCC)C(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22O4/c1-3-5-13(17-4-2)15(16)11-6-7-12-14(10-11)19-9-8-18-12/h6-7,10,13,15-16H,3-5,8-9H2,1-2H3
InChIKeyPCTGWCFVFLIDFG-UHFFFAOYSA-N
XLogP2.70
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethoxypentyl]hydrazine
CID 105271263
(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol
CID 158603374
1-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-3-ol
CID 65189758
(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-2-ol
CID 171268725
2-ethoxy-1-(4-methylphenyl)pentan-1-ol
CID 116711377
1-(4-chlorophenyl)-2-ethoxypentan-1-ol
CID 116711364
2-ethoxy-1-(3-methylphenyl)pentan-1-ol
CID 116711307
(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropane-1,3-diol
CID 122470622
ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxybutanoate
CID 66290653
4-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,2-diol
CID 171893991
6-(3-chlorohexan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 83051147
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine
CID 70125618

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol (CID 116711365) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol is CCCC(OCC)C(O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol?
The InChIKey is PCTGWCFVFLIDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-5-13(17-4-2)15(16)11-6-7-12-14(10-11)19-9-8-18-12/h6-7,10,13,15-16H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol has a molecular weight of 266.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol is sourced from PubChem (CID 116711365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).