(1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol

C15H13BrF2O2 — CID 107720483

IUPAC(1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(OCc2cc(Br)ccc2F)cc1F
InChIInChI=1S/C15H13BrF2O2/c1-9(19)13-4-3-12(7-15(13)18)20-8-10-6-11(16)2-5-14(10)17/h2-7,9,19H,8H2,1H3/t9-/m0/s1
InChIKeyPFMPMDATUPUKAX-VIFPVBQESA-N
MW343.17 g/mol
LogP4.36
Rot. Bonds4

About (1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol

(1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol (PubChem CID 107720483) has the molecular formula C15H13BrF2O2 and a molecular weight of 343.17 g/mol. Its IUPAC name is (1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
PubChem CID107720483
Molecular FormulaC15H13BrF2O2
Molecular Weight343.17 g/mol
Exact Mass342.01
IUPAC Name(1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(OCc2cc(Br)ccc2F)cc1F
InChIInChI=1S/C15H13BrF2O2/c1-9(19)13-4-3-12(7-15(13)18)20-8-10-6-11(16)2-5-14(10)17/h2-7,9,19H,8H2,1H3/t9-/m0/s1
InChIKeyPFMPMDATUPUKAX-VIFPVBQESA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
CID 63533682
1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol
CID 107719528
(1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107720070
2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene
CID 83233544
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719703
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 102948307
1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 30057894
2-[[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]methyl]benzonitrile
CID 107720579
5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline
CID 114252418

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol (CID 107720483) is (1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol is C[C@H](O)c1ccc(OCc2cc(Br)ccc2F)cc1F.
What is the InChIKey of (1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol?
The InChIKey is PFMPMDATUPUKAX-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13BrF2O2/c1-9(19)13-4-3-12(7-15(13)18)20-8-10-6-11(16)2-5-14(10)17/h2-7,9,19H,8H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol?
(1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol has a molecular weight of 343.17 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol is sourced from PubChem (CID 107720483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).