1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol

C16H16BrFO3 — CID 82003210

IUPAC1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
SMILESCOc1ccc(C(C)O)c(OCc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C16H16BrFO3/c1-10(19)15-4-3-14(20-2)8-16(15)21-9-11-5-12(17)7-13(18)6-11/h3-8,10,19H,9H2,1-2H3
InChIKeyZKYLHFNGRRDHMI-UHFFFAOYSA-N
MW355.20 g/mol
LogP4.23
Rot. Bonds5

About 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol

1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol (PubChem CID 82003210) has the molecular formula C16H16BrFO3 and a molecular weight of 355.20 g/mol. Its IUPAC name is 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
PubChem CID82003210
Molecular FormulaC16H16BrFO3
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
SMILESCOc1ccc(C(C)O)c(OCc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C16H16BrFO3/c1-10(19)15-4-3-14(20-2)8-16(15)21-9-11-5-12(17)7-13(18)6-11/h3-8,10,19H,9H2,1-2H3
InChIKeyZKYLHFNGRRDHMI-UHFFFAOYSA-N
XLogP4.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82003422
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol
CID 79699012
(1R)-1-[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 82001197
(1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002835
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine
CID 79698106
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001163
(1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol
CID 82000952
(1S)-1-[4-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 82001017
4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol
CID 79698405
(1R)-1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932320
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol?
The IUPAC name of 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol (CID 82003210) is 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol.
What is the SMILES notation for 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol?
The canonical SMILES for 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol is COc1ccc(C(C)O)c(OCc2cc(F)cc(Br)c2)c1.
What is the InChIKey of 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol?
The InChIKey is ZKYLHFNGRRDHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO3/c1-10(19)15-4-3-14(20-2)8-16(15)21-9-11-5-12(17)7-13(18)6-11/h3-8,10,19H,9H2,1-2H3.
What are the key properties of 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol?
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol has a molecular weight of 355.20 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol is sourced from PubChem (CID 82003210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).