1-(4-hydroxythiophen-2-yl)decan-1-one

C14H22O2S — CID 59180368

IUPAC1-(4-hydroxythiophen-2-yl)decan-1-one
SMILESCCCCCCCCCC(=O)c1cc(O)cs1
InChIInChI=1S/C14H22O2S/c1-2-3-4-5-6-7-8-9-13(16)14-10-12(15)11-17-14/h10-11,15H,2-9H2,1H3
InChIKeyAGQBXMMJLMRGRA-UHFFFAOYSA-N
MW254.39 g/mol
LogP4.78
Rot. Bonds9

About 1-(4-hydroxythiophen-2-yl)decan-1-one

1-(4-hydroxythiophen-2-yl)decan-1-one (PubChem CID 59180368) has the molecular formula C14H22O2S and a molecular weight of 254.39 g/mol. Its IUPAC name is 1-(4-hydroxythiophen-2-yl)decan-1-one.

Molecular Properties

Compound Name1-(4-hydroxythiophen-2-yl)decan-1-one
PubChem CID59180368
Molecular FormulaC14H22O2S
Molecular Weight254.39 g/mol
Exact Mass254.13
IUPAC Name1-(4-hydroxythiophen-2-yl)decan-1-one
SMILESCCCCCCCCCC(=O)c1cc(O)cs1
InChIInChI=1S/C14H22O2S/c1-2-3-4-5-6-7-8-9-13(16)14-10-12(15)11-17-14/h10-11,15H,2-9H2,1H3
InChIKeyAGQBXMMJLMRGRA-UHFFFAOYSA-N
XLogP4.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4,6-trihydroxyphenyl)hexadecan-1-one
CID 23426751
1-[3,5-di(tetradecanoyl)phenyl]hexadecan-1-one
CID 15726207
1-[3,5-di(dodecanoyl)phenyl]tetradecan-1-one
CID 14160625
1-(5-bromothiophen-3-yl)heptan-1-one
CID 105086762
1-(5-iodothiophen-3-yl)decan-1-one
CID 114966470
1-(4,5-dibromothiophen-2-yl)decan-1-one
CID 80532833
1-(5-dodecanoyl-2,4-dihydroxyphenyl)dodecan-1-one
CID 44588789
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
1-(5-bromo-4-methylthiophen-2-yl)octan-1-one
CID 79997565
CID 10875803
CID 10875803
1-(2,4,6-trihydroxy-3-octadecanoylphenyl)octadecan-1-one
CID 44571474
1-(3,4,5-trihydroxyphenyl)nonan-1-one
CID 3063200

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxythiophen-2-yl)decan-1-one?
The IUPAC name of 1-(4-hydroxythiophen-2-yl)decan-1-one (CID 59180368) is 1-(4-hydroxythiophen-2-yl)decan-1-one.
What is the SMILES notation for 1-(4-hydroxythiophen-2-yl)decan-1-one?
The canonical SMILES for 1-(4-hydroxythiophen-2-yl)decan-1-one is CCCCCCCCCC(=O)c1cc(O)cs1.
What is the InChIKey of 1-(4-hydroxythiophen-2-yl)decan-1-one?
The InChIKey is AGQBXMMJLMRGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2S/c1-2-3-4-5-6-7-8-9-13(16)14-10-12(15)11-17-14/h10-11,15H,2-9H2,1H3.
What are the key properties of 1-(4-hydroxythiophen-2-yl)decan-1-one?
1-(4-hydroxythiophen-2-yl)decan-1-one has a molecular weight of 254.39 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxythiophen-2-yl)decan-1-one is sourced from PubChem (CID 59180368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).