(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol

C18H18O2S — CID 105131461

IUPAC(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
SMILESOC(c1ccc(OC2CC2)cc1)C1CSc2ccccc21
InChIInChI=1S/C18H18O2S/c19-18(16-11-21-17-4-2-1-3-15(16)17)12-5-7-13(8-6-12)20-14-9-10-14/h1-8,14,16,18-19H,9-11H2
InChIKeyJKRJXUMZZUNTKT-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.15
Rot. Bonds4

About (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol

(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol (PubChem CID 105131461) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
PubChem CID105131461
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
SMILESOC(c1ccc(OC2CC2)cc1)C1CSc2ccccc21
InChIInChI=1S/C18H18O2S/c19-18(16-11-21-17-4-2-1-3-15(16)17)12-5-7-13(8-6-12)20-14-9-10-14/h1-8,14,16,18-19H,9-11H2
InChIKeyJKRJXUMZZUNTKT-UHFFFAOYSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105096407
(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105134314
cyclobutyl-(4-cyclopropyloxyphenyl)methanol
CID 114518671
2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol
CID 105094086
[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 106657550
(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol
CID 114519106
(2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105397717
(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107193010
1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol
CID 114519159
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
2-cyclopentyl-1-(4-cyclopropyloxyphenyl)ethanol
CID 115838412
2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105132247

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
The IUPAC name of (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol (CID 105131461) is (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol is OC(c1ccc(OC2CC2)cc1)C1CSc2ccccc21.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
The InChIKey is JKRJXUMZZUNTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S/c19-18(16-11-21-17-4-2-1-3-15(16)17)12-5-7-13(8-6-12)20-14-9-10-14/h1-8,14,16,18-19H,9-11H2.
What are the key properties of (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol has a molecular weight of 298.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 105131461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).