1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol

C19H20OS — CID 63426745

IUPAC1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol
SMILESCC(C)(C)c1ccc(C(O)c2csc3ccccc23)cc1
InChIInChI=1S/C19H20OS/c1-19(2,3)14-10-8-13(9-11-14)18(20)16-12-21-17-7-5-4-6-15(16)17/h4-12,18,20H,1-3H3
InChIKeyWBROGGLLXPSTGE-UHFFFAOYSA-N
MW296.44 g/mol
LogP5.28
Rot. Bonds2

About 1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol

1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol (PubChem CID 63426745) has the molecular formula C19H20OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol
PubChem CID63426745
Molecular FormulaC19H20OS
Molecular Weight296.44 g/mol
Exact Mass296.12
IUPAC Name1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol
SMILESCC(C)(C)c1ccc(C(O)c2csc3ccccc23)cc1
InChIInChI=1S/C19H20OS/c1-19(2,3)14-10-8-13(9-11-14)18(20)16-12-21-17-7-5-4-6-15(16)17/h4-12,18,20H,1-3H3
InChIKeyWBROGGLLXPSTGE-UHFFFAOYSA-N
XLogP5.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-3-yl-(4-methylphenyl)methanol
CID 61088943
(R)-1-benzothiophen-3-yl(phenyl)methanol
CID 101489601
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
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
3-(1-benzothiophen-3-yl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 79136552
1-benzothiophen-3-yl(1H-indol-5-yl)methanol
CID 81437486
(1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol
CID 71757522
1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol
CID 61088373
1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 43150849

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol?
The IUPAC name of 1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol (CID 63426745) is 1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol is CC(C)(C)c1ccc(C(O)c2csc3ccccc23)cc1.
What is the InChIKey of 1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol?
The InChIKey is WBROGGLLXPSTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20OS/c1-19(2,3)14-10-8-13(9-11-14)18(20)16-12-21-17-7-5-4-6-15(16)17/h4-12,18,20H,1-3H3.
What are the key properties of 1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol?
1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol has a molecular weight of 296.44 g/mol, XLogP of 5.28, 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-tert-butylphenyl)methanol is sourced from PubChem (CID 63426745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).