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

C17H16O5 — CID 69205409

IUPACbis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
SMILESOC(c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H16O5/c18-17(11-1-3-13-15(9-11)21-7-5-19-13)12-2-4-14-16(10-12)22-8-6-20-14/h1-4,9-10,17-18H,5-8H2
InChIKeyNQFXCAXXEHWSLO-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.31
Rot. Bonds2

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

bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol (PubChem CID 69205409) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol.

Molecular Properties

Compound Namebis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
PubChem CID69205409
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Namebis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
SMILESOC(c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H16O5/c18-17(11-1-3-13-15(9-11)21-7-5-19-13)12-2-4-14-16(10-12)22-8-6-20-14/h1-4,9-10,17-18H,5-8H2
InChIKeyNQFXCAXXEHWSLO-UHFFFAOYSA-N
XLogP2.31
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 79972232
(3-bromo-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 81475614
2,3-dihydro-1,4-benzodioxin-6-yl(1H-pyrazol-4-yl)methanol
CID 114993447
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3,5-dimethylphenyl)methanol
CID 61101261
2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol
CID 81437183
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086940
(2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61101642
(5-bromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61088813
(3-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 61100919
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-iodophenyl)methanol
CID 61101436
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The IUPAC name of bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol (CID 69205409) is bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol.
What is the SMILES notation for bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The canonical SMILES for bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol is OC(c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2.
What is the InChIKey of bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The InChIKey is NQFXCAXXEHWSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c18-17(11-1-3-13-15(9-11)21-7-5-19-13)12-2-4-14-16(10-12)22-8-6-20-14/h1-4,9-10,17-18H,5-8H2.
What are the key properties of bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol has a molecular weight of 300.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol is sourced from PubChem (CID 69205409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).