1-benzothiophen-3-yl-(4-methylphenyl)methanol

C16H14OS — CID 61088943

IUPAC1-benzothiophen-3-yl-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2csc3ccccc23)cc1
InChIInChI=1S/C16H14OS/c1-11-6-8-12(9-7-11)16(17)14-10-18-15-5-3-2-4-13(14)15/h2-10,16-17H,1H3
InChIKeyPPUUBZRRHFSUED-UHFFFAOYSA-N
MW254.35 g/mol
LogP4.29
Rot. Bonds2

About 1-benzothiophen-3-yl-(4-methylphenyl)methanol

1-benzothiophen-3-yl-(4-methylphenyl)methanol (PubChem CID 61088943) has the molecular formula C16H14OS and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(4-methylphenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(4-methylphenyl)methanol
PubChem CID61088943
Molecular FormulaC16H14OS
Molecular Weight254.35 g/mol
Exact Mass254.08
IUPAC Name1-benzothiophen-3-yl-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2csc3ccccc23)cc1
InChIInChI=1S/C16H14OS/c1-11-6-8-12(9-7-11)16(17)14-10-18-15-5-3-2-4-13(14)15/h2-10,16-17H,1H3
InChIKeyPPUUBZRRHFSUED-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-1-benzothiophen-3-yl(phenyl)methanol
CID 101489601
1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol
CID 63426745
1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol
CID 63194986
1-benzothiophen-3-yl-(3-bromo-4-methoxyphenyl)methanol
CID 61088025
1-benzothiophen-3-yl(pyridin-3-yl)methanol
CID 61087457
2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol
CID 63736721
1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679584
1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol
CID 103210159
1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 61087821
1-benzothiophen-3-yl(1H-indol-5-yl)methanol
CID 81437486
1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol
CID 61088373
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(4-methylphenyl)methanol?
The IUPAC name of 1-benzothiophen-3-yl-(4-methylphenyl)methanol (CID 61088943) is 1-benzothiophen-3-yl-(4-methylphenyl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl-(4-methylphenyl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl-(4-methylphenyl)methanol is Cc1ccc(C(O)c2csc3ccccc23)cc1.
What is the InChIKey of 1-benzothiophen-3-yl-(4-methylphenyl)methanol?
The InChIKey is PPUUBZRRHFSUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14OS/c1-11-6-8-12(9-7-11)16(17)14-10-18-15-5-3-2-4-13(14)15/h2-10,16-17H,1H3.
What are the key properties of 1-benzothiophen-3-yl-(4-methylphenyl)methanol?
1-benzothiophen-3-yl-(4-methylphenyl)methanol has a molecular weight of 254.35 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(4-methylphenyl)methanol is sourced from PubChem (CID 61088943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).