2-[(3-bromothiophen-2-yl)methyl]adamantan-2-ol

C15H19BrOS — CID 114082143

IUPAC2-[(3-bromothiophen-2-yl)methyl]adamantan-2-ol
SMILESOC1(Cc2sccc2Br)C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H19BrOS/c16-13-1-2-18-14(13)8-15(17)11-4-9-3-10(6-11)7-12(15)5-9/h1-2,9-12,17H,3-8H2
InChIKeyOKAGLFPPYPVKDD-UHFFFAOYSA-N
MW327.29 g/mol
LogP4.24
Rot. Bonds2

About 2-[(3-bromothiophen-2-yl)methyl]adamantan-2-ol

2-[(3-bromothiophen-2-yl)methyl]adamantan-2-ol (PubChem CID 114082143) has the molecular formula C15H19BrOS and a molecular weight of 327.29 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methyl]adamantan-2-ol.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methyl]adamantan-2-ol
PubChem CID114082143
Molecular FormulaC15H19BrOS
Molecular Weight327.29 g/mol
Exact Mass326.03
IUPAC Name2-[(3-bromothiophen-2-yl)methyl]adamantan-2-ol
SMILESOC1(Cc2sccc2Br)C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H19BrOS/c16-13-1-2-18-14(13)8-15(17)11-4-9-3-10(6-11)7-12(15)5-9/h1-2,9-12,17H,3-8H2
InChIKeyOKAGLFPPYPVKDD-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]adamantan-2-ol?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]adamantan-2-ol (CID 114082143) is 2-[(3-bromothiophen-2-yl)methyl]adamantan-2-ol.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methyl]adamantan-2-ol?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methyl]adamantan-2-ol is OC1(Cc2sccc2Br)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methyl]adamantan-2-ol?
The InChIKey is OKAGLFPPYPVKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrOS/c16-13-1-2-18-14(13)8-15(17)11-4-9-3-10(6-11)7-12(15)5-9/h1-2,9-12,17H,3-8H2.
What are the key properties of 2-[(3-bromothiophen-2-yl)methyl]adamantan-2-ol?
2-[(3-bromothiophen-2-yl)methyl]adamantan-2-ol has a molecular weight of 327.29 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methyl]adamantan-2-ol is sourced from PubChem (CID 114082143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).