2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol

C13H11Cl2FO2 — CID 83173013

IUPAC2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol
SMILESCC(O)(Cc1ccoc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2FO2/c1-13(17,6-8-2-3-18-7-8)9-4-12(16)11(15)5-10(9)14/h2-5,7,17H,6H2,1H3
InChIKeyYCOMIBJHDSAGBS-UHFFFAOYSA-N
MW289.13 g/mol
LogP4.18
Rot. Bonds3

About 2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol

2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol (PubChem CID 83173013) has the molecular formula C13H11Cl2FO2 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol
PubChem CID83173013
Molecular FormulaC13H11Cl2FO2
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol
SMILESCC(O)(Cc1ccoc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2FO2/c1-13(17,6-8-2-3-18-7-8)9-4-12(16)11(15)5-10(9)14/h2-5,7,17H,6H2,1H3
InChIKeyYCOMIBJHDSAGBS-UHFFFAOYSA-N
XLogP4.18
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol 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-(2,4-dichloro-5-fluorophenyl)-1-(4-ethylphenyl)propan-2-ol
CID 63407051
1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 63407265
1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 65146324
1-(4-chloro-2-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 114851814
2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol
CID 63406675
1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 65146594
2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol
CID 63407094
2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol
CID 60928779
2-(2,4-dichloro-5-fluorophenyl)-4-ethyloctan-2-ol
CID 63407052
1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol
CID 115467189
2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 61056644
1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene
CID 175360558

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol (CID 83173013) is 2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol is CC(O)(Cc1ccoc1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol?
The InChIKey is YCOMIBJHDSAGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FO2/c1-13(17,6-8-2-3-18-7-8)9-4-12(16)11(15)5-10(9)14/h2-5,7,17H,6H2,1H3.
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol?
2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol has a molecular weight of 289.13 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol is sourced from PubChem (CID 83173013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).