2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol

C14H16O4 — CID 102649829

IUPAC2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol
SMILESOC(C1=CCCCO1)c1cccc2c1OCCO2
InChIInChI=1S/C14H16O4/c15-13(11-5-1-2-7-16-11)10-4-3-6-12-14(10)18-9-8-17-12/h3-6,13,15H,1-2,7-9H2
InChIKeyDRASKBJWCJFKJG-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.19
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol

2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol (PubChem CID 102649829) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol
PubChem CID102649829
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol
SMILESOC(C1=CCCCO1)c1cccc2c1OCCO2
InChIInChI=1S/C14H16O4/c15-13(11-5-1-2-7-16-11)10-4-3-6-12-14(10)18-9-8-17-12/h3-6,13,15H,1-2,7-9H2
InChIKeyDRASKBJWCJFKJG-UHFFFAOYSA-N
XLogP2.19
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol
CID 105093322
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102646519
2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol
CID 105091733
3,4-dihydro-2H-pyran-6-yl-[3-(dimethylamino)phenyl]methanol
CID 102649826
2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 105125287
(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102649654
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4,4,4-trifluorobutan-1-ol
CID 105104728
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanamine
CID 68796634
(4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102646462
(2,3-difluorophenyl)-(2,3-dihydrofuran-5-yl)methanol
CID 102650584
(1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine
CID 130684063
2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid
CID 82395199

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol (CID 102649829) is 2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol is OC(C1=CCCCO1)c1cccc2c1OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol?
The InChIKey is DRASKBJWCJFKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c15-13(11-5-1-2-7-16-11)10-4-3-6-12-14(10)18-9-8-17-12/h3-6,13,15H,1-2,7-9H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol?
2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol has a molecular weight of 248.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol is sourced from PubChem (CID 102649829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).