3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol

C10H12ClFO2 — CID 115871138

IUPAC3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol
SMILESCC(CO)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H12ClFO2/c1-7(5-13)6-14-8-2-3-9(11)10(12)4-8/h2-4,7,13H,5-6H2,1H3
InChIKeyTYJUQDDBOBKQIL-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.49
Rot. Bonds4

About 3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol

3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol (PubChem CID 115871138) has the molecular formula C10H12ClFO2 and a molecular weight of 218.65 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol
PubChem CID115871138
Molecular FormulaC10H12ClFO2
Molecular Weight218.65 g/mol
Exact Mass218.05
IUPAC Name3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol
SMILESCC(CO)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H12ClFO2/c1-7(5-13)6-14-8-2-3-9(11)10(12)4-8/h2-4,7,13H,5-6H2,1H3
InChIKeyTYJUQDDBOBKQIL-UHFFFAOYSA-N
XLogP2.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(3-hydroxy-2-methylpropoxy)benzoic acid
CID 107675405
1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol
CID 167967220
3-(4-ethoxyphenoxy)-2-methylpropan-1-ol
CID 112507833
3-(3-chlorophenoxy)-2-methylpropan-1-ol
CID 82076436
3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid
CID 82727545
(1R)-1-[4-(2,4-dimethylpentoxy)-2-fluorophenyl]ethanol
CID 114200318
1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene
CID 82727335
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 82727666
2-[(4-chloro-3-fluorophenoxy)methyl]-3,3-dimethylbutane-1-sulfonyl chloride
CID 82726566
1-chloro-2-fluoro-4-(4,4,4-trifluorobutoxy)benzene
CID 82727729
(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine
CID 107718803
(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid
CID 103548134

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol?
The IUPAC name of 3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol (CID 115871138) is 3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol?
The canonical SMILES for 3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol is CC(CO)COc1ccc(Cl)c(F)c1.
What is the InChIKey of 3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol?
The InChIKey is TYJUQDDBOBKQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c1-7(5-13)6-14-8-2-3-9(11)10(12)4-8/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol?
3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol has a molecular weight of 218.65 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol is sourced from PubChem (CID 115871138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).