5-butyl-2-(2-hydroxyethyl)furan-3-one

C10H16O3 — CID 54671487

IUPAC5-butyl-2-(2-hydroxyethyl)furan-3-one
SMILESCCCCC1=CC(=O)C(CCO)O1
InChIInChI=1S/C10H16O3/c1-2-3-4-8-7-9(12)10(13-8)5-6-11/h7,10-11H,2-6H2,1H3
InChIKeyNHRDIGICEYRGRG-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.41
Rot. Bonds5

About 5-butyl-2-(2-hydroxyethyl)furan-3-one

5-butyl-2-(2-hydroxyethyl)furan-3-one (PubChem CID 54671487) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 5-butyl-2-(2-hydroxyethyl)furan-3-one.

Molecular Properties

Compound Name5-butyl-2-(2-hydroxyethyl)furan-3-one
PubChem CID54671487
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name5-butyl-2-(2-hydroxyethyl)furan-3-one
SMILESCCCCC1=CC(=O)C(CCO)O1
InChIInChI=1S/C10H16O3/c1-2-3-4-8-7-9(12)10(13-8)5-6-11/h7,10-11H,2-6H2,1H3
InChIKeyNHRDIGICEYRGRG-UHFFFAOYSA-N
XLogP1.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-butyl-2-(2-hydroxyethyl)furan-3-one 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

2-[(2S)-5-butyl-3-oxofuran-2-yl]acetic acid
CID 636601
2-(5-heptyl-3-oxofuran-2-yl)acetic acid
CID 86240267
6-butyl-2-hexyl-2,3-dihydropyran-4-one
CID 86057082
3-butyl-6-pentyl-2,3-dihydropyran-4-one
CID 10561126
5-(2-hydroxyethyl)-3-pentylcyclopent-2-en-1-one
CID 11521253
3-butyloxiran-2-one
CID 18762090
5-(2-hydroxyethyl)-3a,7a-dihydrofuro[3,2-b]pyran-7-one
CID 20623687
2-(2-hydroxyethyl)-4-pentylmorpholin-3-one
CID 117008383
5-butyl-2-ethyl-4-hydroxyfuran-3-one
CID 139618145
4-butyl-1,3-dioxole-2-carbaldehyde
CID 174516282
(3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one
CID 162927277
3,6-diheptyl-1,4-dioxane-2,5-dione
CID 14460388

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(2-hydroxyethyl)furan-3-one?
The IUPAC name of 5-butyl-2-(2-hydroxyethyl)furan-3-one (CID 54671487) is 5-butyl-2-(2-hydroxyethyl)furan-3-one.
What is the SMILES notation for 5-butyl-2-(2-hydroxyethyl)furan-3-one?
The canonical SMILES for 5-butyl-2-(2-hydroxyethyl)furan-3-one is CCCCC1=CC(=O)C(CCO)O1.
What is the InChIKey of 5-butyl-2-(2-hydroxyethyl)furan-3-one?
The InChIKey is NHRDIGICEYRGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-4-8-7-9(12)10(13-8)5-6-11/h7,10-11H,2-6H2,1H3.
What are the key properties of 5-butyl-2-(2-hydroxyethyl)furan-3-one?
5-butyl-2-(2-hydroxyethyl)furan-3-one has a molecular weight of 184.23 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(2-hydroxyethyl)furan-3-one is sourced from PubChem (CID 54671487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).