4-chloro-1-(furan-3-yl)butan-1-ol

C8H11ClO2 — CID 66045175

IUPAC4-chloro-1-(furan-3-yl)butan-1-ol
SMILESOC(CCCCl)c1ccoc1
InChIInChI=1S/C8H11ClO2/c9-4-1-2-8(10)7-3-5-11-6-7/h3,5-6,8,10H,1-2,4H2
InChIKeyDSBUYEJFKMLGLT-UHFFFAOYSA-N
MW174.63 g/mol
LogP2.33
Rot. Bonds4

About 4-chloro-1-(furan-3-yl)butan-1-ol

4-chloro-1-(furan-3-yl)butan-1-ol (PubChem CID 66045175) has the molecular formula C8H11ClO2 and a molecular weight of 174.63 g/mol. Its IUPAC name is 4-chloro-1-(furan-3-yl)butan-1-ol.

Molecular Properties

Compound Name4-chloro-1-(furan-3-yl)butan-1-ol
PubChem CID66045175
Molecular FormulaC8H11ClO2
Molecular Weight174.63 g/mol
Exact Mass174.04
IUPAC Name4-chloro-1-(furan-3-yl)butan-1-ol
SMILESOC(CCCCl)c1ccoc1
InChIInChI=1S/C8H11ClO2/c9-4-1-2-8(10)7-3-5-11-6-7/h3,5-6,8,10H,1-2,4H2
InChIKeyDSBUYEJFKMLGLT-UHFFFAOYSA-N
XLogP2.33
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-3-chloro-1-(furan-3-yl)propan-1-ol
CID 55298538
(1S)-1-(furan-3-yl)butane-1,4-diol
CID 129362358
(1R)-1-(furan-3-yl)propane-1,3-diol
CID 124583240
1-(furan-3-yl)nonadecan-1-ol
CID 10712867
4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol
CID 64567375
1,2-bis(furan-3-yl)ethanol
CID 83172033
CID 134942666
CID 134942666
1-(furan-3-yl)but-3-yn-1-ol
CID 11252037
1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol
CID 105097163
(1S)-1-(furan-3-yl)pent-3-yn-1-ol
CID 11321039
1-(furan-3-yl)-3-pyridin-3-ylpropan-1-ol
CID 105097267
2-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethanol
CID 102617275

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(furan-3-yl)butan-1-ol?
The IUPAC name of 4-chloro-1-(furan-3-yl)butan-1-ol (CID 66045175) is 4-chloro-1-(furan-3-yl)butan-1-ol.
What is the SMILES notation for 4-chloro-1-(furan-3-yl)butan-1-ol?
The canonical SMILES for 4-chloro-1-(furan-3-yl)butan-1-ol is OC(CCCCl)c1ccoc1.
What is the InChIKey of 4-chloro-1-(furan-3-yl)butan-1-ol?
The InChIKey is DSBUYEJFKMLGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO2/c9-4-1-2-8(10)7-3-5-11-6-7/h3,5-6,8,10H,1-2,4H2.
What are the key properties of 4-chloro-1-(furan-3-yl)butan-1-ol?
4-chloro-1-(furan-3-yl)butan-1-ol has a molecular weight of 174.63 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(furan-3-yl)butan-1-ol is sourced from PubChem (CID 66045175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).