(1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol

C15H14ClFO2 — CID 104892698

IUPAC(1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C15H14ClFO2/c1-2-12(18)10-6-3-4-8-13(10)19-14-9-5-7-11(16)15(14)17/h3-9,12,18H,2H2,1H3/t12-/m1/s1
InChIKeyQWJMDFPNRIFGBD-GFCCVEGCSA-N
MW280.73 g/mol
LogP4.71
Rot. Bonds4

About (1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol

(1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol (PubChem CID 104892698) has the molecular formula C15H14ClFO2 and a molecular weight of 280.73 g/mol. Its IUPAC name is (1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol
PubChem CID104892698
Molecular FormulaC15H14ClFO2
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name(1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C15H14ClFO2/c1-2-12(18)10-6-3-4-8-13(10)19-14-9-5-7-11(16)15(14)17/h3-9,12,18H,2H2,1H3/t12-/m1/s1
InChIKeyQWJMDFPNRIFGBD-GFCCVEGCSA-N
XLogP4.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-ol
CID 103960427
(1R)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 102856285
1-[2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylpropan-1-amine
CID 116689296
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol
CID 112679109
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
CID 116689382
(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol
CID 113359072
1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol
CID 112679140
(1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 107306815
(1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol
CID 103960517
(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol
CID 103960425

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol (CID 104892698) is (1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1Oc1cccc(Cl)c1F.
What is the InChIKey of (1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol?
The InChIKey is QWJMDFPNRIFGBD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14ClFO2/c1-2-12(18)10-6-3-4-8-13(10)19-14-9-5-7-11(16)15(14)17/h3-9,12,18H,2H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol?
(1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol has a molecular weight of 280.73 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol is sourced from PubChem (CID 104892698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).