2-(4-fluorophenyl)-2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol

C15H17FOS — CID 65104951

IUPAC2-(4-fluorophenyl)-2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol
SMILESCc1cc(C(O)C(C)(C)c2ccc(F)cc2)cs1
InChIInChI=1S/C15H17FOS/c1-10-8-11(9-18-10)14(17)15(2,3)12-4-6-13(16)7-5-12/h4-9,14,17H,1-3H3
InChIKeyYWVNQVBLKYYQIG-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.21
Rot. Bonds3

About 2-(4-fluorophenyl)-2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol

2-(4-fluorophenyl)-2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol (PubChem CID 65104951) has the molecular formula C15H17FOS and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol
PubChem CID65104951
Molecular FormulaC15H17FOS
Molecular Weight264.37 g/mol
Exact Mass264.10
IUPAC Name2-(4-fluorophenyl)-2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol
SMILESCc1cc(C(O)C(C)(C)c2ccc(F)cc2)cs1
InChIInChI=1S/C15H17FOS/c1-10-8-11(9-18-10)14(17)15(2,3)12-4-6-13(16)7-5-12/h4-9,14,17H,1-3H3
InChIKeyYWVNQVBLKYYQIG-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol?
The IUPAC name of 2-(4-fluorophenyl)-2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol (CID 65104951) is 2-(4-fluorophenyl)-2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol is Cc1cc(C(O)C(C)(C)c2ccc(F)cc2)cs1.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol?
The InChIKey is YWVNQVBLKYYQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FOS/c1-10-8-11(9-18-10)14(17)15(2,3)12-4-6-13(16)7-5-12/h4-9,14,17H,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol?
2-(4-fluorophenyl)-2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol is sourced from PubChem (CID 65104951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).