1-(2-chloro-6-fluorophenyl)-2-propoxyethanol

C11H14ClFO2 — CID 79567112

IUPAC1-(2-chloro-6-fluorophenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C11H14ClFO2/c1-2-6-15-7-10(14)11-8(12)4-3-5-9(11)13/h3-5,10,14H,2,6-7H2,1H3
InChIKeyOMAWEXWDOVDHGI-UHFFFAOYSA-N
MW232.68 g/mol
LogP2.94
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-2-propoxyethanol

1-(2-chloro-6-fluorophenyl)-2-propoxyethanol (PubChem CID 79567112) has the molecular formula C11H14ClFO2 and a molecular weight of 232.68 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-propoxyethanol
PubChem CID79567112
Molecular FormulaC11H14ClFO2
Molecular Weight232.68 g/mol
Exact Mass232.07
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C11H14ClFO2/c1-2-6-15-7-10(14)11-8(12)4-3-5-9(11)13/h3-5,10,14H,2,6-7H2,1H3
InChIKeyOMAWEXWDOVDHGI-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,6-dichlorophenyl)-2-propoxyethyl]hydrazine
CID 105321436
1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 114275160
1-(2-bromo-3-fluorophenyl)-2-propoxyethanol
CID 115818859
1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol
CID 62607303
1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62774538
(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658590
1-(2-chloro-6-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016942
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol
CID 114885640
(3S)-3-(2-chloro-6-fluorophenyl)-3-hydroxypropanoic acid
CID 94425333
(1S,2R)-1-amino-1-(2-chloro-6-fluorophenyl)pentan-2-ol
CID 171161505
1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethanol
CID 106881025
1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol
CID 65186284

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-propoxyethanol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-propoxyethanol (CID 79567112) is 1-(2-chloro-6-fluorophenyl)-2-propoxyethanol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-propoxyethanol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-propoxyethanol is CCCOCC(O)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-propoxyethanol?
The InChIKey is OMAWEXWDOVDHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO2/c1-2-6-15-7-10(14)11-8(12)4-3-5-9(11)13/h3-5,10,14H,2,6-7H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-propoxyethanol?
1-(2-chloro-6-fluorophenyl)-2-propoxyethanol has a molecular weight of 232.68 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-propoxyethanol is sourced from PubChem (CID 79567112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).