3-chloro-1-(furan-2-yl)propan-1-ol

C7H9ClO2 — CID 77242319

IUPAC3-chloro-1-(furan-2-yl)propan-1-ol
SMILESOC(CCCl)c1ccco1
InChIInChI=1S/C7H9ClO2/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,9H,3-4H2
InChIKeyLCFCXVWTALLPMD-UHFFFAOYSA-N
MW160.60 g/mol
LogP1.94
Rot. Bonds3

About 3-chloro-1-(furan-2-yl)propan-1-ol

3-chloro-1-(furan-2-yl)propan-1-ol (PubChem CID 77242319) has the molecular formula C7H9ClO2 and a molecular weight of 160.60 g/mol. Its IUPAC name is 3-chloro-1-(furan-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-chloro-1-(furan-2-yl)propan-1-ol
PubChem CID77242319
Molecular FormulaC7H9ClO2
Molecular Weight160.60 g/mol
Exact Mass160.03
IUPAC Name3-chloro-1-(furan-2-yl)propan-1-ol
SMILESOC(CCCl)c1ccco1
InChIInChI=1S/C7H9ClO2/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,9H,3-4H2
InChIKeyLCFCXVWTALLPMD-UHFFFAOYSA-N
XLogP1.94
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 51.94
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-2-yl)propan-1-ol
CID 67216727
1-(furan-2-yl)decan-1-ol
CID 11085452
acetylene;(1S)-1-(furan-2-yl)propan-1-ol
CID 143788269
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
dimethanidyl(dimethyl)silane;1-(furan-2-yl)pentan-1-ol;titanium(2+)
CID 20687674
4-[diethyl(methyl)silyl]-1-(furan-2-yl)butan-1-ol
CID 165347785
(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
CID 69050344
1-(furan-2-yl)-3-methylbut-3-en-1-ol
CID 11457787
(1S,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975773
1-(furan-2-yl)-3-iodobut-3-en-1-ol
CID 24890408
(1R,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975775
1-(furan-2-yl)pentane-1,3,4-triol
CID 175602784

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(furan-2-yl)propan-1-ol?
The IUPAC name of 3-chloro-1-(furan-2-yl)propan-1-ol (CID 77242319) is 3-chloro-1-(furan-2-yl)propan-1-ol.
What is the SMILES notation for 3-chloro-1-(furan-2-yl)propan-1-ol?
The canonical SMILES for 3-chloro-1-(furan-2-yl)propan-1-ol is OC(CCCl)c1ccco1.
What is the InChIKey of 3-chloro-1-(furan-2-yl)propan-1-ol?
The InChIKey is LCFCXVWTALLPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO2/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,9H,3-4H2.
What are the key properties of 3-chloro-1-(furan-2-yl)propan-1-ol?
3-chloro-1-(furan-2-yl)propan-1-ol has a molecular weight of 160.60 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(furan-2-yl)propan-1-ol is sourced from PubChem (CID 77242319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).