1-(furan-2-yl)pentane-1,3,4-triol

C9H14O4 — CID 175602784

IUPAC1-(furan-2-yl)pentane-1,3,4-triol
SMILESCC(O)C(O)CC(O)c1ccco1
InChIInChI=1S/C9H14O4/c1-6(10)7(11)5-8(12)9-3-2-4-13-9/h2-4,6-8,10-12H,5H2,1H3
InChIKeyRBROUYKMTXYOQC-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.44
Rot. Bonds4

About 1-(furan-2-yl)pentane-1,3,4-triol

1-(furan-2-yl)pentane-1,3,4-triol (PubChem CID 175602784) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(furan-2-yl)pentane-1,3,4-triol.

Molecular Properties

Compound Name1-(furan-2-yl)pentane-1,3,4-triol
PubChem CID175602784
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name1-(furan-2-yl)pentane-1,3,4-triol
SMILESCC(O)C(O)CC(O)c1ccco1
InChIInChI=1S/C9H14O4/c1-6(10)7(11)5-8(12)9-3-2-4-13-9/h2-4,6-8,10-12H,5H2,1H3
InChIKeyRBROUYKMTXYOQC-UHFFFAOYSA-N
XLogP0.44
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(furan-2-yl)pentane-1,3,4-triol 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

(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
(1S,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975773
(1R,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975775
furan;1-(furan-2-yl)-3-methylbutan-1-ol
CID 23208167
acetylene;(1S)-1-(furan-2-yl)propan-1-ol
CID 143788269
1-(furan-2-yl)-2-methylbutane-1,3-diol
CID 72990739
1-(furan-2-yl)-3-methylbut-3-en-1-ol
CID 11457787
3-amino-1-(furan-2-yl)-5-methoxypentan-1-ol
CID 103967416
3-chloro-1-(furan-2-yl)propan-1-ol
CID 77242319
(1R)-3-chloro-1-(furan-2-yl)propan-1-ol
CID 67216727
1-(furan-2-yl)decan-1-ol
CID 11085452
1-(furan-2-yl)-4-methylpent-3-en-1-ol
CID 15350980

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)pentane-1,3,4-triol?
The IUPAC name of 1-(furan-2-yl)pentane-1,3,4-triol (CID 175602784) is 1-(furan-2-yl)pentane-1,3,4-triol.
What is the SMILES notation for 1-(furan-2-yl)pentane-1,3,4-triol?
The canonical SMILES for 1-(furan-2-yl)pentane-1,3,4-triol is CC(O)C(O)CC(O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)pentane-1,3,4-triol?
The InChIKey is RBROUYKMTXYOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-6(10)7(11)5-8(12)9-3-2-4-13-9/h2-4,6-8,10-12H,5H2,1H3.
What are the key properties of 1-(furan-2-yl)pentane-1,3,4-triol?
1-(furan-2-yl)pentane-1,3,4-triol has a molecular weight of 186.21 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)pentane-1,3,4-triol is sourced from PubChem (CID 175602784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).