2-[(5-chlorothiophen-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

C15H21ClOS — CID 113302823

IUPAC2-[(5-chlorothiophen-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(O)Cc1ccc(Cl)s1
InChIInChI=1S/C15H21ClOS/c1-13(2)10-6-7-14(3,8-10)15(13,17)9-11-4-5-12(16)18-11/h4-5,10,17H,6-9H2,1-3H3
InChIKeySSFFOMUXJUCBSA-UHFFFAOYSA-N
MW284.85 g/mol
LogP4.52
Rot. Bonds2

About 2-[(5-chlorothiophen-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

2-[(5-chlorothiophen-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 113302823) has the molecular formula C15H21ClOS and a molecular weight of 284.85 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID113302823
Molecular FormulaC15H21ClOS
Molecular Weight284.85 g/mol
Exact Mass284.10
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(O)Cc1ccc(Cl)s1
InChIInChI=1S/C15H21ClOS/c1-13(2)10-6-7-14(3,8-10)15(13,17)9-11-4-5-12(16)18-11/h4-5,10,17H,6-9H2,1-3H3
InChIKeySSFFOMUXJUCBSA-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.85
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (CID 113302823) is 2-[(5-chlorothiophen-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is CC12CCC(C1)C(C)(C)C2(O)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is SSFFOMUXJUCBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClOS/c1-13(2)10-6-7-14(3,8-10)15(13,17)9-11-4-5-12(16)18-11/h4-5,10,17H,6-9H2,1-3H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
2-[(5-chlorothiophen-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 284.85 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 113302823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).