3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol

C15H14ClFO2 — CID 117243052

IUPAC3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol
SMILESOCC(COc1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C15H14ClFO2/c16-13-4-2-6-15(8-13)19-10-12(9-18)11-3-1-5-14(17)7-11/h1-8,12,18H,9-10H2
InChIKeyDULOABDFRILTEF-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.63
Rot. Bonds5

About 3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol

3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol (PubChem CID 117243052) has the molecular formula C15H14ClFO2 and a molecular weight of 280.73 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol
PubChem CID117243052
Molecular FormulaC15H14ClFO2
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol
SMILESOCC(COc1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C15H14ClFO2/c16-13-4-2-6-15(8-13)19-10-12(9-18)11-3-1-5-14(17)7-11/h1-8,12,18H,9-10H2
InChIKeyDULOABDFRILTEF-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol
CID 117243039
2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol
CID 117243108
3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 117243023
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
3-(3-chlorophenoxy)-2-methylpropan-1-ol
CID 82076436
1-chloro-3-(2-phenylbutoxy)benzene
CID 70672799
2-(3-chlorophenyl)-3-phenoxypropan-1-amine
CID 117242977
2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol
CID 117244926
2-(3-chlorophenyl)-4-phenoxybutan-1-ol
CID 79443608
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine
CID 105396960
3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid
CID 117245238

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol (CID 117243052) is 3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol is OCC(COc1cccc(Cl)c1)c1cccc(F)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol?
The InChIKey is DULOABDFRILTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2/c16-13-4-2-6-15(8-13)19-10-12(9-18)11-3-1-5-14(17)7-11/h1-8,12,18H,9-10H2.
What are the key properties of 3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol?
3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol has a molecular weight of 280.73 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 117243052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).