3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol

C18H20O2S — CID 105130614

IUPAC3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
SMILESOC(c1cccc2c1OCCC2)C1CCCc2sccc21
InChIInChI=1S/C18H20O2S/c19-17(14-6-2-8-16-13(14)9-11-21-16)15-7-1-4-12-5-3-10-20-18(12)15/h1,4,7,9,11,14,17,19H,2-3,5-6,8,10H2
InChIKeyRPNQLCDEPHUTPM-UHFFFAOYSA-N
MW300.42 g/mol
LogP4.23
Rot. Bonds2

About 3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol

3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol (PubChem CID 105130614) has the molecular formula C18H20O2S and a molecular weight of 300.42 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
PubChem CID105130614
Molecular FormulaC18H20O2S
Molecular Weight300.42 g/mol
Exact Mass300.12
IUPAC Name3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
SMILESOC(c1cccc2c1OCCC2)C1CCCc2sccc21
InChIInChI=1S/C18H20O2S/c19-17(14-6-2-8-16-13(14)9-11-21-16)15-7-1-4-12-5-3-10-20-18(12)15/h1,4,7,9,11,14,17,19H,2-3,5-6,8,10H2
InChIKeyRPNQLCDEPHUTPM-UHFFFAOYSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol
CID 115837861
2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105132247
2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105092328
4,5,6,7-tetrahydro-1-benzothiophen-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710138
(4-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105110803
(5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105113661
(5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105119690
pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105079451
1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049025
1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol
CID 105130684
(4-ethoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105092056
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol (CID 105130614) is 3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol is OC(c1cccc2c1OCCC2)C1CCCc2sccc21.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
The InChIKey is RPNQLCDEPHUTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2S/c19-17(14-6-2-8-16-13(14)9-11-21-16)15-7-1-4-12-5-3-10-20-18(12)15/h1,4,7,9,11,14,17,19H,2-3,5-6,8,10H2.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol has a molecular weight of 300.42 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 105130614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).