1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol

C19H18OS — CID 114601265

IUPAC1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol
SMILESOC(c1ccccc1C1CCC1)c1csc2ccccc12
InChIInChI=1S/C19H18OS/c20-19(17-12-21-18-11-4-3-9-15(17)18)16-10-2-1-8-14(16)13-6-5-7-13/h1-4,8-13,19-20H,5-7H2
InChIKeyWUYRMYBLQOJJBE-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.25
Rot. Bonds3

About 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol

1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol (PubChem CID 114601265) has the molecular formula C19H18OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol
PubChem CID114601265
Molecular FormulaC19H18OS
Molecular Weight294.42 g/mol
Exact Mass294.11
IUPAC Name1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol
SMILESOC(c1ccccc1C1CCC1)c1csc2ccccc12
InChIInChI=1S/C19H18OS/c20-19(17-12-21-18-11-4-3-9-15(17)18)16-10-2-1-8-14(16)13-6-5-7-13/h1-4,8-13,19-20H,5-7H2
InChIKeyWUYRMYBLQOJJBE-UHFFFAOYSA-N
XLogP5.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine
CID 105052203
(R)-1-benzothiophen-3-yl(phenyl)methanol
CID 101489601
1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol
CID 61088560
1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone
CID 115813663
1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol
CID 106644382
1-benzothiophen-3-yl(quinolin-5-yl)methanol
CID 78917707
(2-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 115838610
1-(2-cyclobutylphenyl)butane-1,2-diol
CID 103454593
(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine
CID 93025479
1-benzothiophen-3-yl-(4-methylphenyl)methanol
CID 61088943
1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 61087821
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol?
The IUPAC name of 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol (CID 114601265) is 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol is OC(c1ccccc1C1CCC1)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol?
The InChIKey is WUYRMYBLQOJJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18OS/c20-19(17-12-21-18-11-4-3-9-15(17)18)16-10-2-1-8-14(16)13-6-5-7-13/h1-4,8-13,19-20H,5-7H2.
What are the key properties of 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol?
1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol has a molecular weight of 294.42 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol is sourced from PubChem (CID 114601265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).