2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol

C17H18O3S — CID 105092328

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
SMILESOC(c1ccc2c(c1)OCCO2)C1CCCc2sccc21
InChIInChI=1S/C17H18O3S/c18-17(13-2-1-3-16-12(13)6-9-21-16)11-4-5-14-15(10-11)20-8-7-19-14/h4-6,9-10,13,17-18H,1-3,7-8H2
InChIKeyZCPPJHLKVCPUMV-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.67
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol

2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol (PubChem CID 105092328) has the molecular formula C17H18O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
PubChem CID105092328
Molecular FormulaC17H18O3S
Molecular Weight302.40 g/mol
Exact Mass302.10
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
SMILESOC(c1ccc2c(c1)OCCO2)C1CCCc2sccc21
InChIInChI=1S/C17H18O3S/c18-17(13-2-1-3-16-12(13)6-9-21-16)11-4-5-14-15(10-11)20-8-7-19-14/h4-6,9-10,13,17-18H,1-3,7-8H2
InChIKeyZCPPJHLKVCPUMV-UHFFFAOYSA-N
XLogP3.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5,6,7-tetrahydro-1-benzothiophen-4-yl-[4-(trifluoromethyl)phenyl]methanol
CID 105093679
cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086943
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086940
pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105079451
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841595
(5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105119690
(5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105113661
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
(2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105078447
(3S)-3-[(S)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-1-prop-2-enylpiperidin-2-one
CID 101075218
(4-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105110803
4,5,6,7-tetrahydro-1-benzothiophen-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710138

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol (CID 105092328) is 2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol is OC(c1ccc2c(c1)OCCO2)C1CCCc2sccc21.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
The InChIKey is ZCPPJHLKVCPUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3S/c18-17(13-2-1-3-16-12(13)6-9-21-16)11-4-5-14-15(10-11)20-8-7-19-14/h4-6,9-10,13,17-18H,1-3,7-8H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol has a molecular weight of 302.40 g/mol, XLogP of 3.67, 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(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 105092328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).