1,3,3-trimethyl-2-(2-methylthiophen-3-yl)bicyclo[2.2.1]heptan-2-ol

C15H22OS — CID 102829369

IUPAC1,3,3-trimethyl-2-(2-methylthiophen-3-yl)bicyclo[2.2.1]heptan-2-ol
SMILESCc1sccc1C1(O)C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H22OS/c1-10-12(6-8-17-10)15(16)13(2,3)11-5-7-14(15,4)9-11/h6,8,11,16H,5,7,9H2,1-4H3
InChIKeyQIWXBPKBCUWIFN-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.09
Rot. Bonds1

About 1,3,3-trimethyl-2-(2-methylthiophen-3-yl)bicyclo[2.2.1]heptan-2-ol

1,3,3-trimethyl-2-(2-methylthiophen-3-yl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 102829369) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-(2-methylthiophen-3-yl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,3,3-trimethyl-2-(2-methylthiophen-3-yl)bicyclo[2.2.1]heptan-2-ol
PubChem CID102829369
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name1,3,3-trimethyl-2-(2-methylthiophen-3-yl)bicyclo[2.2.1]heptan-2-ol
SMILESCc1sccc1C1(O)C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H22OS/c1-10-12(6-8-17-10)15(16)13(2,3)11-5-7-14(15,4)9-11/h6,8,11,16H,5,7,9H2,1-4H3
InChIKeyQIWXBPKBCUWIFN-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-(2-methylthiophen-3-yl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,3,3-trimethyl-2-(2-methylthiophen-3-yl)bicyclo[2.2.1]heptan-2-ol (CID 102829369) is 1,3,3-trimethyl-2-(2-methylthiophen-3-yl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,3,3-trimethyl-2-(2-methylthiophen-3-yl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,3,3-trimethyl-2-(2-methylthiophen-3-yl)bicyclo[2.2.1]heptan-2-ol is Cc1sccc1C1(O)C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-(2-methylthiophen-3-yl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is QIWXBPKBCUWIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-10-12(6-8-17-10)15(16)13(2,3)11-5-7-14(15,4)9-11/h6,8,11,16H,5,7,9H2,1-4H3.
What are the key properties of 1,3,3-trimethyl-2-(2-methylthiophen-3-yl)bicyclo[2.2.1]heptan-2-ol?
1,3,3-trimethyl-2-(2-methylthiophen-3-yl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 250.41 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-(2-methylthiophen-3-yl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 102829369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).