cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol

C14H18O3 — CID 61086943

IUPACcyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
SMILESOC(c1ccc2c(c1)OCCO2)C1CCCC1
InChIInChI=1S/C14H18O3/c15-14(10-3-1-2-4-10)11-5-6-12-13(9-11)17-8-7-16-12/h5-6,9-10,14-15H,1-4,7-8H2
InChIKeyBPLDQFXFXPWLCA-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.68
Rot. Bonds2

About cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol

cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol (PubChem CID 61086943) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol.

Molecular Properties

Compound Namecyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
PubChem CID61086943
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Namecyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
SMILESOC(c1ccc2c(c1)OCCO2)C1CCCC1
InChIInChI=1S/C14H18O3/c15-14(10-3-1-2-4-10)11-5-6-12-13(9-11)17-8-7-16-12/h5-6,9-10,14-15H,1-4,7-8H2
InChIKeyBPLDQFXFXPWLCA-UHFFFAOYSA-N
XLogP2.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086940
1,3-benzodioxol-5-yl(cycloheptyl)methanol
CID 82929316
cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 65018205
1,3-benzodioxol-5-yl(oxan-4-yl)methanol
CID 63935647
[cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105204466
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
3-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 61087676
2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone
CID 110406997
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(1,1-dioxothian-2-yl)methanol
CID 104521053
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
1,3-benzodioxol-5-yl(cycloheptyl)methanamine
CID 82931380
cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294029

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The IUPAC name of cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol (CID 61086943) is cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol.
What is the SMILES notation for cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The canonical SMILES for cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol is OC(c1ccc2c(c1)OCCO2)C1CCCC1.
What is the InChIKey of cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The InChIKey is BPLDQFXFXPWLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-14(10-3-1-2-4-10)11-5-6-12-13(9-11)17-8-7-16-12/h5-6,9-10,14-15H,1-4,7-8H2.
What are the key properties of cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol has a molecular weight of 234.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol is sourced from PubChem (CID 61086943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).