(1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol

C14H12FIO2 — CID 114059300

IUPAC(1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cccc(F)c1Oc1cccc(I)c1
InChIInChI=1S/C14H12FIO2/c1-9(17)12-6-3-7-13(15)14(12)18-11-5-2-4-10(16)8-11/h2-9,17H,1H3/t9-/m1/s1
InChIKeyANFLUMQDPNZRSW-SECBINFHSA-N
MW358.15 g/mol
LogP4.28
Rot. Bonds3

About (1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol

(1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol (PubChem CID 114059300) has the molecular formula C14H12FIO2 and a molecular weight of 358.15 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol
PubChem CID114059300
Molecular FormulaC14H12FIO2
Molecular Weight358.15 g/mol
Exact Mass357.99
IUPAC Name(1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cccc(F)c1Oc1cccc(I)c1
InChIInChI=1S/C14H12FIO2/c1-9(17)12-6-3-7-13(15)14(12)18-11-5-2-4-10(16)8-11/h2-9,17H,1H3/t9-/m1/s1
InChIKeyANFLUMQDPNZRSW-SECBINFHSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.15
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol (CID 114059300) is (1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol is C[C@@H](O)c1cccc(F)c1Oc1cccc(I)c1.
What is the InChIKey of (1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol?
The InChIKey is ANFLUMQDPNZRSW-SECBINFHSA-N. The full InChI is InChI=1S/C14H12FIO2/c1-9(17)12-6-3-7-13(15)14(12)18-11-5-2-4-10(16)8-11/h2-9,17H,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol?
(1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol has a molecular weight of 358.15 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol is sourced from PubChem (CID 114059300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).