[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methanol

C16H16BrFO3 — CID 1282746

IUPAC[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methanol
SMILESCCOc1cc(CO)c(Br)cc1OCc1ccccc1F
InChIInChI=1S/C16H16BrFO3/c1-2-20-15-7-12(9-19)13(17)8-16(15)21-10-11-5-3-4-6-14(11)18/h3-8,19H,2,9-10H2,1H3
InChIKeyBXCYIVMJTVYBQJ-UHFFFAOYSA-N
MW355.20 g/mol
LogP4.06
Rot. Bonds6

About [2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methanol

[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methanol (PubChem CID 1282746) has the molecular formula C16H16BrFO3 and a molecular weight of 355.20 g/mol. Its IUPAC name is [2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methanol
PubChem CID1282746
Molecular FormulaC16H16BrFO3
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methanol
SMILESCCOc1cc(CO)c(Br)cc1OCc1ccccc1F
InChIInChI=1S/C16H16BrFO3/c1-2-20-15-7-12(9-19)13(17)8-16(15)21-10-11-5-3-4-6-14(11)18/h3-8,19H,2,9-10H2,1H3
InChIKeyBXCYIVMJTVYBQJ-UHFFFAOYSA-N
XLogP4.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methanol?
The IUPAC name of [2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methanol (CID 1282746) is [2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methanol is CCOc1cc(CO)c(Br)cc1OCc1ccccc1F.
What is the InChIKey of [2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methanol?
The InChIKey is BXCYIVMJTVYBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO3/c1-2-20-15-7-12(9-19)13(17)8-16(15)21-10-11-5-3-4-6-14(11)18/h3-8,19H,2,9-10H2,1H3.
What are the key properties of [2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methanol?
[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methanol has a molecular weight of 355.20 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 1282746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).