1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanol

C19H18OS — CID 81129786

IUPAC1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanol
SMILESOC(c1cccc2ccsc12)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H18OS/c20-18(16-9-4-6-14-10-13-21-17(14)16)19(11-5-12-19)15-7-2-1-3-8-15/h1-4,6-10,13,18,20H,5,11-12H2
InChIKeyUFEZBKNCGCZLDA-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.06
Rot. Bonds3

About 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanol

1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanol (PubChem CID 81129786) has the molecular formula C19H18OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanol
PubChem CID81129786
Molecular FormulaC19H18OS
Molecular Weight294.42 g/mol
Exact Mass294.11
IUPAC Name1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanol
SMILESOC(c1cccc2ccsc12)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H18OS/c20-18(16-9-4-6-14-10-13-21-17(14)16)19(11-5-12-19)15-7-2-1-3-8-15/h1-4,6-10,13,18,20H,5,11-12H2
InChIKeyUFEZBKNCGCZLDA-UHFFFAOYSA-N
XLogP5.06
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 ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanol?
The IUPAC name of 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanol (CID 81129786) is 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanol.
What is the SMILES notation for 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanol?
The canonical SMILES for 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanol is OC(c1cccc2ccsc12)C1(c2ccccc2)CCC1.
What is the InChIKey of 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanol?
The InChIKey is UFEZBKNCGCZLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18OS/c20-18(16-9-4-6-14-10-13-21-17(14)16)19(11-5-12-19)15-7-2-1-3-8-15/h1-4,6-10,13,18,20H,5,11-12H2.
What are the key properties of 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanol?
1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanol has a molecular weight of 294.42 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanol is sourced from PubChem (CID 81129786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).