(1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol

C15H13ClF2O2 — CID 107882473

IUPAC(1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(OCc2ccc(Cl)c(F)c2)c(F)c1
InChIInChI=1S/C15H13ClF2O2/c1-9(19)11-3-5-15(14(18)7-11)20-8-10-2-4-12(16)13(17)6-10/h2-7,9,19H,8H2,1H3/t9-/m0/s1
InChIKeyIEOURFIUSSNQNJ-VIFPVBQESA-N
MW298.72 g/mol
LogP4.25
Rot. Bonds4

About (1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol

(1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol (PubChem CID 107882473) has the molecular formula C15H13ClF2O2 and a molecular weight of 298.72 g/mol. Its IUPAC name is (1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol
PubChem CID107882473
Molecular FormulaC15H13ClF2O2
Molecular Weight298.72 g/mol
Exact Mass298.06
IUPAC Name(1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(OCc2ccc(Cl)c(F)c2)c(F)c1
InChIInChI=1S/C15H13ClF2O2/c1-9(19)11-3-5-15(14(18)7-11)20-8-10-2-4-12(16)13(17)6-10/h2-7,9,19H,8H2,1H3/t9-/m0/s1
InChIKeyIEOURFIUSSNQNJ-VIFPVBQESA-N
XLogP4.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 115582214
(1R)-1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881645
1-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43503631
1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 113389598
1-[5-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107879124
(1R)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931221
1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
CID 82918483
[3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 107882229
(1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol
CID 103038370
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]ethanol
CID 82090144

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol (CID 107882473) is (1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol is C[C@H](O)c1ccc(OCc2ccc(Cl)c(F)c2)c(F)c1.
What is the InChIKey of (1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol?
The InChIKey is IEOURFIUSSNQNJ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13ClF2O2/c1-9(19)11-3-5-15(14(18)7-11)20-8-10-2-4-12(16)13(17)6-10/h2-7,9,19H,8H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol?
(1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol has a molecular weight of 298.72 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol is sourced from PubChem (CID 107882473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).