1-(furan-2-yl)-6-hydroxyhexan-1-one

C10H14O3 — CID 58637371

IUPAC1-(furan-2-yl)-6-hydroxyhexan-1-one
SMILESO=C(CCCCCO)c1ccco1
InChIInChI=1S/C10H14O3/c11-7-3-1-2-5-9(12)10-6-4-8-13-10/h4,6,8,11H,1-3,5,7H2
InChIKeyUNUXZWDPBQTZHA-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.02
Rot. Bonds6

About 1-(furan-2-yl)-6-hydroxyhexan-1-one

1-(furan-2-yl)-6-hydroxyhexan-1-one (PubChem CID 58637371) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(furan-2-yl)-6-hydroxyhexan-1-one.

Molecular Properties

Compound Name1-(furan-2-yl)-6-hydroxyhexan-1-one
PubChem CID58637371
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-(furan-2-yl)-6-hydroxyhexan-1-one
SMILESO=C(CCCCCO)c1ccco1
InChIInChI=1S/C10H14O3/c11-7-3-1-2-5-9(12)10-6-4-8-13-10/h4,6,8,11H,1-3,5,7H2
InChIKeyUNUXZWDPBQTZHA-UHFFFAOYSA-N
XLogP2.02
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(furan-2-yl)-6-hydroxyhexan-1-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

1-(furan-2-yl)undecan-1-one
CID 15721327
6-(furan-2-yl)-6-oxohexanoic acid
CID 96622261
4-bromo-1-(furan-2-yl)butan-1-one
CID 3503830
6-(furan-2-yl)hexoxy-trimethylsilane;1-(furan-2-yl)-6-hydroxyhexan-1-one
CID 160505287
4-ethoxy-1-(furan-2-yl)butan-1-one
CID 105099293
1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one
CID 67841364
furan-2-carboxylic acid;3-phenylpropan-1-ol
CID 174709444
[2-(furan-2-yl)-2-oxoethyl] octadecanoate
CID 126696522
1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one
CID 70926778
3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one
CID 175418899
3-(ethylamino)-1-(furan-2-yl)propan-1-one
CID 67303302
1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 170859218

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-6-hydroxyhexan-1-one?
The IUPAC name of 1-(furan-2-yl)-6-hydroxyhexan-1-one (CID 58637371) is 1-(furan-2-yl)-6-hydroxyhexan-1-one.
What is the SMILES notation for 1-(furan-2-yl)-6-hydroxyhexan-1-one?
The canonical SMILES for 1-(furan-2-yl)-6-hydroxyhexan-1-one is O=C(CCCCCO)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-6-hydroxyhexan-1-one?
The InChIKey is UNUXZWDPBQTZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-7-3-1-2-5-9(12)10-6-4-8-13-10/h4,6,8,11H,1-3,5,7H2.
What are the key properties of 1-(furan-2-yl)-6-hydroxyhexan-1-one?
1-(furan-2-yl)-6-hydroxyhexan-1-one has a molecular weight of 182.22 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-6-hydroxyhexan-1-one is sourced from PubChem (CID 58637371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).