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

C14H20O3 — CID 114013464

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)C1COc2ccccc2O1
InChIInChI=1S/C14H20O3/c1-3-6-10(2)14(15)13-9-16-11-7-4-5-8-12(11)17-13/h4-5,7-8,10,13-15H,3,6,9H2,1-2H3
InChIKeyCANCYYXOJKIJCE-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.62
Rot. Bonds4

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

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol (PubChem CID 114013464) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol
PubChem CID114013464
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)C1COc2ccccc2O1
InChIInChI=1S/C14H20O3/c1-3-6-10(2)14(15)13-9-16-11-7-4-5-8-12(11)17-13/h4-5,7-8,10,13-15H,3,6,9H2,1-2H3
InChIKeyCANCYYXOJKIJCE-UHFFFAOYSA-N
XLogP2.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine
CID 107895095
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine
CID 65352769
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-methylbutan-1-ol
CID 65351243
3-(1-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 91622126
(1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol
CID 22819017
butyl-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]azanium
CID 7076056
butyl-[(1S)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]azanium
CID 7076054
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(propan-2-ylamino)propan-1-ol
CID 71633036
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine
CID 105230267
(1R)-2-(butylamino)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol
CID 125480076
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]ethanol
CID 12855736
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
CID 3051001

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol (CID 114013464) is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol is CCCC(C)C(O)C1COc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol?
The InChIKey is CANCYYXOJKIJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-6-10(2)14(15)13-9-16-11-7-4-5-8-12(11)17-13/h4-5,7-8,10,13-15H,3,6,9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol?
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol is sourced from PubChem (CID 114013464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).