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

C11H14ClFO3 — CID 167967220

IUPAC1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol
SMILESCCOCC(O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H14ClFO3/c1-2-15-6-8(14)7-16-9-3-4-10(12)11(13)5-9/h3-5,8,14H,2,6-7H2,1H3
InChIKeyNHQSMUXKWWMNFI-UHFFFAOYSA-N
MW248.68 g/mol
LogP2.26
Rot. Bonds6

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

1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol (PubChem CID 167967220) has the molecular formula C11H14ClFO3 and a molecular weight of 248.68 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol
PubChem CID167967220
Molecular FormulaC11H14ClFO3
Molecular Weight248.68 g/mol
Exact Mass248.06
IUPAC Name1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol
SMILESCCOCC(O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H14ClFO3/c1-2-15-6-8(14)7-16-9-3-4-10(12)11(13)5-9/h3-5,8,14H,2,6-7H2,1H3
InChIKeyNHQSMUXKWWMNFI-UHFFFAOYSA-N
XLogP2.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(3-ethoxy-2-hydroxypropoxy)benzoic acid
CID 106500831
1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 107716918
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol
CID 115871138
3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid
CID 82727545
1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 78954639
1-(3-aminophenoxy)-3-ethoxypropan-2-ol
CID 10680007
1-(4-chloro-3-fluorophenoxy)-3-(4-nitrosopiperazin-1-yl)propan-2-ol
CID 146458065
1-chloro-4-(2-ethylsulfanylethoxy)-2-fluorobenzene
CID 115899258
3-(3,4-dichlorophenoxy)propane-1,2-diol
CID 78931944
1-(tert-butylamino)-3-(3-chloro-4-fluorophenoxy)propan-2-ol
CID 115476132
1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol
CID 63933123

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol?
The IUPAC name of 1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol (CID 167967220) is 1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol?
The canonical SMILES for 1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol is CCOCC(O)COc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol?
The InChIKey is NHQSMUXKWWMNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO3/c1-2-15-6-8(14)7-16-9-3-4-10(12)11(13)5-9/h3-5,8,14H,2,6-7H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol?
1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol has a molecular weight of 248.68 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol is sourced from PubChem (CID 167967220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).