1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol

C19H20OS — CID 63427924

IUPAC1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1ccc(C(O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C19H20OS/c1-13(2)11-14-7-9-15(10-8-14)19(20)18-12-16-5-3-4-6-17(16)21-18/h3-10,12-13,19-20H,11H2,1-2H3
InChIKeyKCLVIIWPFDYVQZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP5.18
Rot. Bonds4

About 1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol

1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol (PubChem CID 63427924) has the molecular formula C19H20OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol
PubChem CID63427924
Molecular FormulaC19H20OS
Molecular Weight296.44 g/mol
Exact Mass296.12
IUPAC Name1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1ccc(C(O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C19H20OS/c1-13(2)11-14-7-9-15(10-8-14)19(20)18-12-16-5-3-4-6-17(16)21-18/h3-10,12-13,19-20H,11H2,1-2H3
InChIKeyKCLVIIWPFDYVQZ-UHFFFAOYSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
CID 80744923
1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol
CID 114980831
1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844225
(4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol
CID 80537480
1-(1-benzothiophen-2-yl)-3-methylbutan-1-ol
CID 114976256
1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol
CID 115796747
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
1-(1-benzothiophen-2-yl)-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanol
CID 177491448
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol
CID 115807031
1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine
CID 115782410
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol?
The IUPAC name of 1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol (CID 63427924) is 1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for 1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for 1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol is CC(C)Cc1ccc(C(O)c2cc3ccccc3s2)cc1.
What is the InChIKey of 1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol?
The InChIKey is KCLVIIWPFDYVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20OS/c1-13(2)11-14-7-9-15(10-8-14)19(20)18-12-16-5-3-4-6-17(16)21-18/h3-10,12-13,19-20H,11H2,1-2H3.
What are the key properties of 1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol?
1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol has a molecular weight of 296.44 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 63427924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).