4a,8a-dihydro-1,4-benzodioxin-6-yl(cyclopentyl)methanol

C14H18O3 — CID 118879151

IUPAC4a,8a-dihydro-1,4-benzodioxin-6-yl(cyclopentyl)methanol
SMILESOC(C1=CC2OC=COC2C=C1)C1CCCC1
InChIInChI=1S/C14H18O3/c15-14(10-3-1-2-4-10)11-5-6-12-13(9-11)17-8-7-16-12/h5-10,12-15H,1-4H2
InChIKeyCQORBXHFUDHFNE-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.29
Rot. Bonds2

About 4a,8a-dihydro-1,4-benzodioxin-6-yl(cyclopentyl)methanol

4a,8a-dihydro-1,4-benzodioxin-6-yl(cyclopentyl)methanol (PubChem CID 118879151) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4a,8a-dihydro-1,4-benzodioxin-6-yl(cyclopentyl)methanol.

Molecular Properties

Compound Name4a,8a-dihydro-1,4-benzodioxin-6-yl(cyclopentyl)methanol
PubChem CID118879151
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name4a,8a-dihydro-1,4-benzodioxin-6-yl(cyclopentyl)methanol
SMILESOC(C1=CC2OC=COC2C=C1)C1CCCC1
InChIInChI=1S/C14H18O3/c15-14(10-3-1-2-4-10)11-5-6-12-13(9-11)17-8-7-16-12/h5-10,12-15H,1-4H2
InChIKeyCQORBXHFUDHFNE-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4a,8a-dihydro-1,4-benzodioxin-6-yl(cyclopentyl)methanol?
The IUPAC name of 4a,8a-dihydro-1,4-benzodioxin-6-yl(cyclopentyl)methanol (CID 118879151) is 4a,8a-dihydro-1,4-benzodioxin-6-yl(cyclopentyl)methanol.
What is the SMILES notation for 4a,8a-dihydro-1,4-benzodioxin-6-yl(cyclopentyl)methanol?
The canonical SMILES for 4a,8a-dihydro-1,4-benzodioxin-6-yl(cyclopentyl)methanol is OC(C1=CC2OC=COC2C=C1)C1CCCC1.
What is the InChIKey of 4a,8a-dihydro-1,4-benzodioxin-6-yl(cyclopentyl)methanol?
The InChIKey is CQORBXHFUDHFNE-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/h5-10,12-15H,1-4H2.
What are the key properties of 4a,8a-dihydro-1,4-benzodioxin-6-yl(cyclopentyl)methanol?
4a,8a-dihydro-1,4-benzodioxin-6-yl(cyclopentyl)methanol has a molecular weight of 234.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8a-dihydro-1,4-benzodioxin-6-yl(cyclopentyl)methanol is sourced from PubChem (CID 118879151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).