1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol

C18H18OS — CID 105119163

IUPAC1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CCC(O)c2cccc3ccsc23)cc1
InChIInChI=1S/C18H18OS/c1-13-5-7-14(8-6-13)9-10-17(19)16-4-2-3-15-11-12-20-18(15)16/h2-8,11-12,17,19H,9-10H2,1H3
InChIKeyLUIAPTLWNJSMFH-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.88
Rot. Bonds4

About 1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol

1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol (PubChem CID 105119163) has the molecular formula C18H18OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol
PubChem CID105119163
Molecular FormulaC18H18OS
Molecular Weight282.41 g/mol
Exact Mass282.11
IUPAC Name1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CCC(O)c2cccc3ccsc23)cc1
InChIInChI=1S/C18H18OS/c1-13-5-7-14(8-6-13)9-10-17(19)16-4-2-3-15-11-12-20-18(15)16/h2-8,11-12,17,19H,9-10H2,1H3
InChIKeyLUIAPTLWNJSMFH-UHFFFAOYSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol
CID 102842310
[1-(1-benzothiophen-7-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105211276
1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 105079773
1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol
CID 81152861
1-(1-benzothiophen-7-yl)-2-methylpropane-1,2-diol
CID 103448864
1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol
CID 81154090
1-(1-benzothiophen-7-yl)-2-phenoxyethanol
CID 81152772
1-(1-benzothiophen-7-yl)-2-cyclopentylethanol
CID 115827369
1-(1-benzothiophen-7-yl)pentan-3-ol
CID 81147774
7-(1-chlorobutyl)-1-benzothiophene
CID 126973958
7-(3-chloropentyl)-1-benzothiophene
CID 81147007
1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol
CID 81153991

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of 1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol (CID 105119163) is 1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol is Cc1ccc(CCC(O)c2cccc3ccsc23)cc1.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol?
The InChIKey is LUIAPTLWNJSMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18OS/c1-13-5-7-14(8-6-13)9-10-17(19)16-4-2-3-15-11-12-20-18(15)16/h2-8,11-12,17,19H,9-10H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol?
1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol has a molecular weight of 282.41 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 105119163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).