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

C14H14O3S — CID 79808329

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol
SMILESCc1cscc1C(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H14O3S/c1-9-7-18-8-11(9)14(15)10-2-3-12-13(6-10)17-5-4-16-12/h2-3,6-8,14-15H,4-5H2,1H3
InChIKeyPCZSGTPCJZRCID-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.91
Rot. Bonds2

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

2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol (PubChem CID 79808329) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol
PubChem CID79808329
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol
SMILESCc1cscc1C(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H14O3S/c1-9-7-18-8-11(9)14(15)10-2-3-12-13(6-10)17-5-4-16-12/h2-3,6-8,14-15H,4-5H2,1H3
InChIKeyPCZSGTPCJZRCID-UHFFFAOYSA-N
XLogP2.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.91
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-(2,5-dimethylthiophen-3-yl)methanol
CID 61086868
1,3-benzodioxol-5-yl-(4-bromothiophen-3-yl)methanol
CID 79595048
(3-bromo-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 81475614
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-fluoro-2-methylphenyl)methanol
CID 63894946
(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
1,3-benzodioxol-5-yl-(2-methylthiophen-3-yl)methanol
CID 102829165
1-(4-bromothiophen-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 105010417
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methanol
CID 105094321
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methyl-1,3-thiazol-2-yl)methanol
CID 104769409

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol (CID 79808329) is 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol is Cc1cscc1C(O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol?
The InChIKey is PCZSGTPCJZRCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-9-7-18-8-11(9)14(15)10-2-3-12-13(6-10)17-5-4-16-12/h2-3,6-8,14-15H,4-5H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol?
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol has a molecular weight of 262.33 g/mol, XLogP of 2.91, 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-(4-methylthiophen-3-yl)methanol is sourced from PubChem (CID 79808329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).