(1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol

C15H14FIO2 — CID 107720343

IUPAC(1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1ccc(OCc2ccc(I)cc2)cc1F
InChIInChI=1S/C15H14FIO2/c1-10(18)14-7-6-13(8-15(14)16)19-9-11-2-4-12(17)5-3-11/h2-8,10,18H,9H2,1H3/t10-/m0/s1
InChIKeyBNTVHCIUNWNYOC-JTQLQIEISA-N
MW372.18 g/mol
LogP4.06
Rot. Bonds4

About (1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol

(1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol (PubChem CID 107720343) has the molecular formula C15H14FIO2 and a molecular weight of 372.18 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol
PubChem CID107720343
Molecular FormulaC15H14FIO2
Molecular Weight372.18 g/mol
Exact Mass372.00
IUPAC Name(1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1ccc(OCc2ccc(I)cc2)cc1F
InChIInChI=1S/C15H14FIO2/c1-10(18)14-7-6-13(8-15(14)16)19-9-11-2-4-12(17)5-3-11/h2-8,10,18H,9H2,1H3/t10-/m0/s1
InChIKeyBNTVHCIUNWNYOC-JTQLQIEISA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.18
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid
CID 107719952
(1R)-1-[2-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720216
(1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 107720608
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035
(1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol
CID 107720224
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 65476801
(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 107718259
(1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 107720305

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol (CID 107720343) is (1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol is C[C@H](O)c1ccc(OCc2ccc(I)cc2)cc1F.
What is the InChIKey of (1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol?
The InChIKey is BNTVHCIUNWNYOC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14FIO2/c1-10(18)14-7-6-13(8-15(14)16)19-9-11-2-4-12(17)5-3-11/h2-8,10,18H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol?
(1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol has a molecular weight of 372.18 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107720343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).