(2,5-dimethylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol

C15H20OS — CID 114097109

IUPAC(2,5-dimethylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol
SMILESCc1cc(C(O)C2C3C4CCC(C4)C32)c(C)s1
InChIInChI=1S/C15H20OS/c1-7-5-11(8(2)17-7)15(16)14-12-9-3-4-10(6-9)13(12)14/h5,9-10,12-16H,3-4,6H2,1-2H3
InChIKeyBFZXNDOUSDNTES-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.69
Rot. Bonds2

About (2,5-dimethylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol

(2,5-dimethylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol (PubChem CID 114097109) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol
PubChem CID114097109
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name(2,5-dimethylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol
SMILESCc1cc(C(O)C2C3C4CCC(C4)C32)c(C)s1
InChIInChI=1S/C15H20OS/c1-7-5-11(8(2)17-7)15(16)14-12-9-3-4-10(6-9)13(12)14/h5,9-10,12-16H,3-4,6H2,1-2H3
InChIKeyBFZXNDOUSDNTES-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol (CID 114097109) is (2,5-dimethylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol is Cc1cc(C(O)C2C3C4CCC(C4)C32)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol?
The InChIKey is BFZXNDOUSDNTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-7-5-11(8(2)17-7)15(16)14-12-9-3-4-10(6-9)13(12)14/h5,9-10,12-16H,3-4,6H2,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol?
(2,5-dimethylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol has a molecular weight of 248.39 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol is sourced from PubChem (CID 114097109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).