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

C15H16O3S — CID 61086868

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2ccc3c(c2)OCCO3)c(C)s1
InChIInChI=1S/C15H16O3S/c1-9-7-12(10(2)19-9)15(16)11-3-4-13-14(8-11)18-6-5-17-13/h3-4,7-8,15-16H,5-6H2,1-2H3
InChIKeyQAAHGYRPFMMGOY-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.22
Rot. Bonds2

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

2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol (PubChem CID 61086868) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol
PubChem CID61086868
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2ccc3c(c2)OCCO3)c(C)s1
InChIInChI=1S/C15H16O3S/c1-9-7-12(10(2)19-9)15(16)11-3-4-13-14(8-11)18-6-5-17-13/h3-4,7-8,15-16H,5-6H2,1-2H3
InChIKeyQAAHGYRPFMMGOY-UHFFFAOYSA-N
XLogP3.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol
CID 79808329
1,3-benzodioxol-5-yl-(2-methylthiophen-3-yl)methanol
CID 102829165
(3-bromo-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 81475614
(2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol
CID 61087975
(2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol
CID 65453801
(5-bromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61088813
(2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61101642
2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105092346
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3,5-dimethylphenyl)methanol
CID 61101261
(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 80535432
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-fluoro-2-methylphenyl)methanol
CID 63894946

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol (CID 61086868) is 2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol is Cc1cc(C(O)c2ccc3c(c2)OCCO3)c(C)s1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol?
The InChIKey is QAAHGYRPFMMGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-9-7-12(10(2)19-9)15(16)11-3-4-13-14(8-11)18-6-5-17-13/h3-4,7-8,15-16H,5-6H2,1-2H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol?
2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol has a molecular weight of 276.36 g/mol, XLogP of 3.22, 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-6-yl-(2,5-dimethylthiophen-3-yl)methanol is sourced from PubChem (CID 61086868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).