2-adamantyl-(5-bromothiophen-2-yl)methanol

C15H19BrOS — CID 81096245

IUPAC2-adamantyl-(5-bromothiophen-2-yl)methanol
SMILESOC(c1ccc(Br)s1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H19BrOS/c16-13-2-1-12(18-13)15(17)14-10-4-8-3-9(6-10)7-11(14)5-8/h1-2,8-11,14-15,17H,3-7H2
InChIKeyJNUZDJWYQNJZGB-UHFFFAOYSA-N
MW327.29 g/mol
LogP4.62
Rot. Bonds2

About 2-adamantyl-(5-bromothiophen-2-yl)methanol

2-adamantyl-(5-bromothiophen-2-yl)methanol (PubChem CID 81096245) has the molecular formula C15H19BrOS and a molecular weight of 327.29 g/mol. Its IUPAC name is 2-adamantyl-(5-bromothiophen-2-yl)methanol.

Molecular Properties

Compound Name2-adamantyl-(5-bromothiophen-2-yl)methanol
PubChem CID81096245
Molecular FormulaC15H19BrOS
Molecular Weight327.29 g/mol
Exact Mass326.03
IUPAC Name2-adamantyl-(5-bromothiophen-2-yl)methanol
SMILESOC(c1ccc(Br)s1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H19BrOS/c16-13-2-1-12(18-13)15(17)14-10-4-8-3-9(6-10)7-11(14)5-8/h1-2,8-11,14-15,17H,3-7H2
InChIKeyJNUZDJWYQNJZGB-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-(5-bromothiophen-2-yl)methanol?
The IUPAC name of 2-adamantyl-(5-bromothiophen-2-yl)methanol (CID 81096245) is 2-adamantyl-(5-bromothiophen-2-yl)methanol.
What is the SMILES notation for 2-adamantyl-(5-bromothiophen-2-yl)methanol?
The canonical SMILES for 2-adamantyl-(5-bromothiophen-2-yl)methanol is OC(c1ccc(Br)s1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl-(5-bromothiophen-2-yl)methanol?
The InChIKey is JNUZDJWYQNJZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrOS/c16-13-2-1-12(18-13)15(17)14-10-4-8-3-9(6-10)7-11(14)5-8/h1-2,8-11,14-15,17H,3-7H2.
What are the key properties of 2-adamantyl-(5-bromothiophen-2-yl)methanol?
2-adamantyl-(5-bromothiophen-2-yl)methanol has a molecular weight of 327.29 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-(5-bromothiophen-2-yl)methanol is sourced from PubChem (CID 81096245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).