3-(3-ethyl-4-thiophen-2-ylphenyl)pentan-3-ol

C17H22OS — CID 174386956

IUPAC3-(3-ethyl-4-thiophen-2-ylphenyl)pentan-3-ol
SMILESCCc1cc(C(O)(CC)CC)ccc1-c1cccs1
InChIInChI=1S/C17H22OS/c1-4-13-12-14(17(18,5-2)6-3)9-10-15(13)16-8-7-11-19-16/h7-12,18H,4-6H2,1-3H3
InChIKeyZOFNDGNMNVZREM-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.99
Rot. Bonds5

About 3-(3-ethyl-4-thiophen-2-ylphenyl)pentan-3-ol

3-(3-ethyl-4-thiophen-2-ylphenyl)pentan-3-ol (PubChem CID 174386956) has the molecular formula C17H22OS and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-(3-ethyl-4-thiophen-2-ylphenyl)pentan-3-ol.

Molecular Properties

Compound Name3-(3-ethyl-4-thiophen-2-ylphenyl)pentan-3-ol
PubChem CID174386956
Molecular FormulaC17H22OS
Molecular Weight274.43 g/mol
Exact Mass274.14
IUPAC Name3-(3-ethyl-4-thiophen-2-ylphenyl)pentan-3-ol
SMILESCCc1cc(C(O)(CC)CC)ccc1-c1cccs1
InChIInChI=1S/C17H22OS/c1-4-13-12-14(17(18,5-2)6-3)9-10-15(13)16-8-7-11-19-16/h7-12,18H,4-6H2,1-3H3
InChIKeyZOFNDGNMNVZREM-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-thiophen-2-ylphenyl)pentan-3-ol?
The IUPAC name of 3-(3-ethyl-4-thiophen-2-ylphenyl)pentan-3-ol (CID 174386956) is 3-(3-ethyl-4-thiophen-2-ylphenyl)pentan-3-ol.
What is the SMILES notation for 3-(3-ethyl-4-thiophen-2-ylphenyl)pentan-3-ol?
The canonical SMILES for 3-(3-ethyl-4-thiophen-2-ylphenyl)pentan-3-ol is CCc1cc(C(O)(CC)CC)ccc1-c1cccs1.
What is the InChIKey of 3-(3-ethyl-4-thiophen-2-ylphenyl)pentan-3-ol?
The InChIKey is ZOFNDGNMNVZREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22OS/c1-4-13-12-14(17(18,5-2)6-3)9-10-15(13)16-8-7-11-19-16/h7-12,18H,4-6H2,1-3H3.
What are the key properties of 3-(3-ethyl-4-thiophen-2-ylphenyl)pentan-3-ol?
3-(3-ethyl-4-thiophen-2-ylphenyl)pentan-3-ol has a molecular weight of 274.43 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-thiophen-2-ylphenyl)pentan-3-ol is sourced from PubChem (CID 174386956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).