3-(3-hydroxypropyl)-5-propylidenefuran-2-one

C10H14O3 — CID 85132198

IUPAC3-(3-hydroxypropyl)-5-propylidenefuran-2-one
SMILESCCC=C1C=C(CCCO)C(=O)O1
InChIInChI=1S/C10H14O3/c1-2-4-9-7-8(5-3-6-11)10(12)13-9/h4,7,11H,2-3,5-6H2,1H3
InChIKeyYNRNIKRFIIHGPK-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.54
Rot. Bonds4

About 3-(3-hydroxypropyl)-5-propylidenefuran-2-one

3-(3-hydroxypropyl)-5-propylidenefuran-2-one (PubChem CID 85132198) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-5-propylidenefuran-2-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-5-propylidenefuran-2-one
PubChem CID85132198
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3-(3-hydroxypropyl)-5-propylidenefuran-2-one
SMILESCCC=C1C=C(CCCO)C(=O)O1
InChIInChI=1S/C10H14O3/c1-2-4-9-7-8(5-3-6-11)10(12)13-9/h4,7,11H,2-3,5-6H2,1H3
InChIKeyYNRNIKRFIIHGPK-UHFFFAOYSA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Aspergilactone A
CID 146682548
Bombardolide B
CID 10397433
Aspergilactone B
CID 146682549
Penicilactone A
CID 146683020
Penicilactone C
CID 146683021
(5E)-3-(3-hydroxypropyl)-5-propylidenefuran-2-one
CID 11126896
Aspilactonol A
CID 139586154
Aspergone A
CID 156581208
Aspergone B
CID 156581209
Aspergone C
CID 156581210
Aspergone D
CID 156581211
Angupyrone C
CID 156581431

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-5-propylidenefuran-2-one?
The IUPAC name of 3-(3-hydroxypropyl)-5-propylidenefuran-2-one (CID 85132198) is 3-(3-hydroxypropyl)-5-propylidenefuran-2-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-5-propylidenefuran-2-one?
The canonical SMILES for 3-(3-hydroxypropyl)-5-propylidenefuran-2-one is CCC=C1C=C(CCCO)C(=O)O1.
What is the InChIKey of 3-(3-hydroxypropyl)-5-propylidenefuran-2-one?
The InChIKey is YNRNIKRFIIHGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-4-9-7-8(5-3-6-11)10(12)13-9/h4,7,11H,2-3,5-6H2,1H3.
What are the key properties of 3-(3-hydroxypropyl)-5-propylidenefuran-2-one?
3-(3-hydroxypropyl)-5-propylidenefuran-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-5-propylidenefuran-2-one is sourced from PubChem (CID 85132198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).