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

C18H20O2S — CID 105095159

IUPAC2,3-dihydro-1-benzothiophen-2-yl-(4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)C2Cc3ccccc3S2)cc1
InChIInChI=1S/C18H20O2S/c1-2-11-20-15-9-7-13(8-10-15)18(19)17-12-14-5-3-4-6-16(14)21-17/h3-10,17-19H,2,11-12H2,1H3
InChIKeyJZYGZVIGOUNYJJ-UHFFFAOYSA-N
MW300.42 g/mol
LogP4.23
Rot. Bonds5

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

2,3-dihydro-1-benzothiophen-2-yl-(4-propoxyphenyl)methanol (PubChem CID 105095159) has the molecular formula C18H20O2S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-(4-propoxyphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl-(4-propoxyphenyl)methanol
PubChem CID105095159
Molecular FormulaC18H20O2S
Molecular Weight300.42 g/mol
Exact Mass300.12
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl-(4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)C2Cc3ccccc3S2)cc1
InChIInChI=1S/C18H20O2S/c1-2-11-20-15-9-7-13(8-10-15)18(19)17-12-14-5-3-4-6-16(14)21-17/h3-10,17-19H,2,11-12H2,1H3
InChIKeyJZYGZVIGOUNYJJ-UHFFFAOYSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol
CID 105121436
(3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol
CID 64728664
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propoxyphenyl)methanamine
CID 64984292
2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine
CID 105144289
1,4-diazabicyclo[2.2.2]octan-2-yl-(4-propoxyphenyl)methanol
CID 79969175
1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene
CID 91374788
(3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105132379
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 105079050
N-[(4-chlorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 105076227
(2-cyclopropylphenyl)-(4-propoxyphenyl)methanol
CID 79971063
(4-cyclopropylphenyl)-(4-propoxyphenyl)methanol
CID 79970800
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105132699

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(4-propoxyphenyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(4-propoxyphenyl)methanol (CID 105095159) is 2,3-dihydro-1-benzothiophen-2-yl-(4-propoxyphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-(4-propoxyphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-(4-propoxyphenyl)methanol is CCCOc1ccc(C(O)C2Cc3ccccc3S2)cc1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-(4-propoxyphenyl)methanol?
The InChIKey is JZYGZVIGOUNYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2S/c1-2-11-20-15-9-7-13(8-10-15)18(19)17-12-14-5-3-4-6-16(14)21-17/h3-10,17-19H,2,11-12H2,1H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-(4-propoxyphenyl)methanol?
2,3-dihydro-1-benzothiophen-2-yl-(4-propoxyphenyl)methanol has a molecular weight of 300.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-2-yl-(4-propoxyphenyl)methanol is sourced from PubChem (CID 105095159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).