4-propyl-1-thiophen-3-ylheptan-3-ol

C14H24OS — CID 115798450

IUPAC4-propyl-1-thiophen-3-ylheptan-3-ol
SMILESCCCC(CCC)C(O)CCc1ccsc1
InChIInChI=1S/C14H24OS/c1-3-5-13(6-4-2)14(15)8-7-12-9-10-16-11-12/h9-11,13-15H,3-8H2,1-2H3
InChIKeySLXWDWIDDPIAFJ-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.26
Rot. Bonds8

About 4-propyl-1-thiophen-3-ylheptan-3-ol

4-propyl-1-thiophen-3-ylheptan-3-ol (PubChem CID 115798450) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 4-propyl-1-thiophen-3-ylheptan-3-ol.

Molecular Properties

Compound Name4-propyl-1-thiophen-3-ylheptan-3-ol
PubChem CID115798450
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name4-propyl-1-thiophen-3-ylheptan-3-ol
SMILESCCCC(CCC)C(O)CCc1ccsc1
InChIInChI=1S/C14H24OS/c1-3-5-13(6-4-2)14(15)8-7-12-9-10-16-11-12/h9-11,13-15H,3-8H2,1-2H3
InChIKeySLXWDWIDDPIAFJ-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-thiophen-3-ylheptan-3-ol
CID 83927744
5-methyl-1-thiophen-3-ylhexane-3,4-diol
CID 103456568
4-ethyl-1-thiophen-3-ylhexane-3,4-diol
CID 103449392
azane;3-propylthiophene
CID 174446539
4-methyl-1-thiophen-3-ylheptan-3-one
CID 114972135
5-methyl-1-thiophen-3-ylheptan-3-ol
CID 115798340
1-thiophen-3-ylnonan-3-amine
CID 115857036
1-cyclopropyl-3-thiophen-3-ylpropan-1-ol
CID 63354651
3-heptylthiophene;3-hexylthiophene
CID 159152668
4-methoxy-1-thiophen-3-ylhexan-3-amine
CID 116715242
1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol
CID 65132704
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol
CID 115798476

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-thiophen-3-ylheptan-3-ol?
The IUPAC name of 4-propyl-1-thiophen-3-ylheptan-3-ol (CID 115798450) is 4-propyl-1-thiophen-3-ylheptan-3-ol.
What is the SMILES notation for 4-propyl-1-thiophen-3-ylheptan-3-ol?
The canonical SMILES for 4-propyl-1-thiophen-3-ylheptan-3-ol is CCCC(CCC)C(O)CCc1ccsc1.
What is the InChIKey of 4-propyl-1-thiophen-3-ylheptan-3-ol?
The InChIKey is SLXWDWIDDPIAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-3-5-13(6-4-2)14(15)8-7-12-9-10-16-11-12/h9-11,13-15H,3-8H2,1-2H3.
What are the key properties of 4-propyl-1-thiophen-3-ylheptan-3-ol?
4-propyl-1-thiophen-3-ylheptan-3-ol has a molecular weight of 240.41 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-thiophen-3-ylheptan-3-ol is sourced from PubChem (CID 115798450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).