1-thiophen-2-ylhexan-2-ol

C10H16OS — CID 19347443

IUPAC1-thiophen-2-ylhexan-2-ol
SMILESCCCCC(O)Cc1cccs1
InChIInChI=1S/C10H16OS/c1-2-3-5-9(11)8-10-6-4-7-12-10/h4,6-7,9,11H,2-3,5,8H2,1H3
InChIKeyGYEFOVYMFQGGRJ-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.84
Rot. Bonds5

About 1-thiophen-2-ylhexan-2-ol

1-thiophen-2-ylhexan-2-ol (PubChem CID 19347443) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 1-thiophen-2-ylhexan-2-ol.

Molecular Properties

Compound Name1-thiophen-2-ylhexan-2-ol
PubChem CID19347443
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name1-thiophen-2-ylhexan-2-ol
SMILESCCCCC(O)Cc1cccs1
InChIInChI=1S/C10H16OS/c1-2-3-5-9(11)8-10-6-4-7-12-10/h4,6-7,9,11H,2-3,5,8H2,1H3
InChIKeyGYEFOVYMFQGGRJ-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylhexan-2-ol?
The IUPAC name of 1-thiophen-2-ylhexan-2-ol (CID 19347443) is 1-thiophen-2-ylhexan-2-ol.
What is the SMILES notation for 1-thiophen-2-ylhexan-2-ol?
The canonical SMILES for 1-thiophen-2-ylhexan-2-ol is CCCCC(O)Cc1cccs1.
What is the InChIKey of 1-thiophen-2-ylhexan-2-ol?
The InChIKey is GYEFOVYMFQGGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-2-3-5-9(11)8-10-6-4-7-12-10/h4,6-7,9,11H,2-3,5,8H2,1H3.
What are the key properties of 1-thiophen-2-ylhexan-2-ol?
1-thiophen-2-ylhexan-2-ol has a molecular weight of 184.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylhexan-2-ol is sourced from PubChem (CID 19347443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).