6-(5-propylthiophen-2-yl)heptane-3,4-diol

C14H24O2S — CID 83929603

IUPAC6-(5-propylthiophen-2-yl)heptane-3,4-diol
SMILESCCCc1ccc(C(C)CC(O)C(O)CC)s1
InChIInChI=1S/C14H24O2S/c1-4-6-11-7-8-14(17-11)10(3)9-13(16)12(15)5-2/h7-8,10,12-13,15-16H,4-6,9H2,1-3H3
InChIKeyLRGAAVIWGASZRS-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.33
Rot. Bonds7

About 6-(5-propylthiophen-2-yl)heptane-3,4-diol

6-(5-propylthiophen-2-yl)heptane-3,4-diol (PubChem CID 83929603) has the molecular formula C14H24O2S and a molecular weight of 256.41 g/mol. Its IUPAC name is 6-(5-propylthiophen-2-yl)heptane-3,4-diol.

Molecular Properties

Compound Name6-(5-propylthiophen-2-yl)heptane-3,4-diol
PubChem CID83929603
Molecular FormulaC14H24O2S
Molecular Weight256.41 g/mol
Exact Mass256.15
IUPAC Name6-(5-propylthiophen-2-yl)heptane-3,4-diol
SMILESCCCc1ccc(C(C)CC(O)C(O)CC)s1
InChIInChI=1S/C14H24O2S/c1-4-6-11-7-8-14(17-11)10(3)9-13(16)12(15)5-2/h7-8,10,12-13,15-16H,4-6,9H2,1-3H3
InChIKeyLRGAAVIWGASZRS-UHFFFAOYSA-N
XLogP3.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(5-propylthiophen-2-yl)heptane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(5-bromothiophen-2-yl)heptane-3,4-diol
CID 83935051
2-(4-chlorobutan-2-yl)-5-propylthiophene
CID 83929483
(1R)-N-methyl-1-(5-propylthiophen-2-yl)ethanamine
CID 55277541
1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol
CID 83929457
2,5-dipropylthiophene
CID 587485
5-(5-methylthiophen-2-yl)hexane-2,3-diol
CID 83929345
2,4-diamino-1-(5-propylthiophen-2-yl)butan-1-ol
CID 83929506
(5-butan-2-ylthiophen-2-yl)methanamine
CID 83827152
4-(5-propylthiophen-2-yl)hexan-1-amine
CID 83929486
2,5-di(butan-2-yl)thiophene
CID 89217006
2-amino-5-(5-chlorothiophen-2-yl)hexan-3-ol
CID 83934933
2-amino-5-(5-bromothiophen-2-yl)hexan-3-ol
CID 83935038

Frequently Asked Questions

What is the IUPAC name of 6-(5-propylthiophen-2-yl)heptane-3,4-diol?
The IUPAC name of 6-(5-propylthiophen-2-yl)heptane-3,4-diol (CID 83929603) is 6-(5-propylthiophen-2-yl)heptane-3,4-diol.
What is the SMILES notation for 6-(5-propylthiophen-2-yl)heptane-3,4-diol?
The canonical SMILES for 6-(5-propylthiophen-2-yl)heptane-3,4-diol is CCCc1ccc(C(C)CC(O)C(O)CC)s1.
What is the InChIKey of 6-(5-propylthiophen-2-yl)heptane-3,4-diol?
The InChIKey is LRGAAVIWGASZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2S/c1-4-6-11-7-8-14(17-11)10(3)9-13(16)12(15)5-2/h7-8,10,12-13,15-16H,4-6,9H2,1-3H3.
What are the key properties of 6-(5-propylthiophen-2-yl)heptane-3,4-diol?
6-(5-propylthiophen-2-yl)heptane-3,4-diol has a molecular weight of 256.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-propylthiophen-2-yl)heptane-3,4-diol is sourced from PubChem (CID 83929603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).