3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol

C17H22OS — CID 63083411

IUPAC3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol
SMILESCCC(CC)(c1ccccc1)C(O)Cc1ccsc1
InChIInChI=1S/C17H22OS/c1-3-17(4-2,15-8-6-5-7-9-15)16(18)12-14-10-11-19-13-14/h5-11,13,16,18H,3-4,12H2,1-2H3
InChIKeyBKXFXYCVYFTXEN-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.41
Rot. Bonds6

About 3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol

3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol (PubChem CID 63083411) has the molecular formula C17H22OS and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol.

Molecular Properties

Compound Name3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol
PubChem CID63083411
Molecular FormulaC17H22OS
Molecular Weight274.43 g/mol
Exact Mass274.14
IUPAC Name3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol
SMILESCCC(CC)(c1ccccc1)C(O)Cc1ccsc1
InChIInChI=1S/C17H22OS/c1-3-17(4-2,15-8-6-5-7-9-15)16(18)12-14-10-11-19-13-14/h5-11,13,16,18H,3-4,12H2,1-2H3
InChIKeyBKXFXYCVYFTXEN-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol?
The IUPAC name of 3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol (CID 63083411) is 3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol.
What is the SMILES notation for 3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol?
The canonical SMILES for 3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol is CCC(CC)(c1ccccc1)C(O)Cc1ccsc1.
What is the InChIKey of 3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol?
The InChIKey is BKXFXYCVYFTXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22OS/c1-3-17(4-2,15-8-6-5-7-9-15)16(18)12-14-10-11-19-13-14/h5-11,13,16,18H,3-4,12H2,1-2H3.
What are the key properties of 3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol?
3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol has a molecular weight of 274.43 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol is sourced from PubChem (CID 63083411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).