2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol

C18H22OS — CID 114910962

IUPAC2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol
SMILESCC(O)(CC1CC2CCC1C2)c1cc2ccccc2s1
InChIInChI=1S/C18H22OS/c1-18(19,11-15-9-12-6-7-13(15)8-12)17-10-14-4-2-3-5-16(14)20-17/h2-5,10,12-13,15,19H,6-9,11H2,1H3
InChIKeyRHIZRWRURDHULA-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.94
Rot. Bonds3

About 2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol

2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol (PubChem CID 114910962) has the molecular formula C18H22OS and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol
PubChem CID114910962
Molecular FormulaC18H22OS
Molecular Weight286.44 g/mol
Exact Mass286.14
IUPAC Name2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol
SMILESCC(O)(CC1CC2CCC1C2)c1cc2ccccc2s1
InChIInChI=1S/C18H22OS/c1-18(19,11-15-9-12-6-7-13(15)8-12)17-10-14-4-2-3-5-16(14)20-17/h2-5,10,12-13,15,19H,6-9,11H2,1H3
InChIKeyRHIZRWRURDHULA-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The IUPAC name of 2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol (CID 114910962) is 2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol is CC(O)(CC1CC2CCC1C2)c1cc2ccccc2s1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The InChIKey is RHIZRWRURDHULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OS/c1-18(19,11-15-9-12-6-7-13(15)8-12)17-10-14-4-2-3-5-16(14)20-17/h2-5,10,12-13,15,19H,6-9,11H2,1H3.
What are the key properties of 2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol?
2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol has a molecular weight of 286.44 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol is sourced from PubChem (CID 114910962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).