(1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol

C15H15FO2 — CID 122372141

IUPAC(1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol
SMILESC[C@@H](O)[C@H](F)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H15FO2/c1-11(17)15(16)12-7-9-14(10-8-12)18-13-5-3-2-4-6-13/h2-11,15,17H,1H3/t11-,15+/m1/s1
InChIKeyXRJOMGRVFZLNQB-ABAIWWIYSA-N
MW246.28 g/mol
LogP3.87
Rot. Bonds4

About (1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol

(1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol (PubChem CID 122372141) has the molecular formula C15H15FO2 and a molecular weight of 246.28 g/mol. Its IUPAC name is (1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol
PubChem CID122372141
Molecular FormulaC15H15FO2
Molecular Weight246.28 g/mol
Exact Mass246.11
IUPAC Name(1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol
SMILESC[C@@H](O)[C@H](F)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H15FO2/c1-11(17)15(16)12-7-9-14(10-8-12)18-13-5-3-2-4-6-13/h2-11,15,17H,1H3/t11-,15+/m1/s1
InChIKeyXRJOMGRVFZLNQB-ABAIWWIYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
(1R,2S)-1-amino-3-methyl-1-(4-phenoxyphenyl)butan-2-ol;hydrochloride
CID 171263705
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
dimethylamino-(4-phenoxyphenyl)methanol
CID 116909552
2-(4-phenoxyphenyl)propanoic acid
CID 527817
2-methyl-3-(4-phenoxyphenyl)butanethioamide
CID 83938972
(2S,3R,4S)-4-(3-phenoxyphenyl)pentane-2,3-diol
CID 135050581
(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol
CID 171266953
1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene
CID 21117107
1-(3,3-dimethylbutan-2-yl)-4-phenoxybenzene
CID 59819110
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030
3-(4-phenoxyphenyl)butanethioamide
CID 83938971

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol?
The IUPAC name of (1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol (CID 122372141) is (1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol?
The canonical SMILES for (1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol is C[C@@H](O)[C@H](F)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol?
The InChIKey is XRJOMGRVFZLNQB-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H15FO2/c1-11(17)15(16)12-7-9-14(10-8-12)18-13-5-3-2-4-6-13/h2-11,15,17H,1H3/t11-,15+/m1/s1.
What are the key properties of (1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol?
(1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol has a molecular weight of 246.28 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol is sourced from PubChem (CID 122372141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).