[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methanol

C14H12BrFO2 — CID 898561

IUPAC[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methanol
SMILESOCc1ccc(OCc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C14H12BrFO2/c15-13-7-11(8-17)3-6-14(13)18-9-10-1-4-12(16)5-2-10/h1-7,17H,8-9H2
InChIKeyOOBCKFAHWSVENJ-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.66
Rot. Bonds4

About [3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methanol

[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methanol (PubChem CID 898561) has the molecular formula C14H12BrFO2 and a molecular weight of 311.15 g/mol. Its IUPAC name is [3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methanol
PubChem CID898561
Molecular FormulaC14H12BrFO2
Molecular Weight311.15 g/mol
Exact Mass310.00
IUPAC Name[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methanol
SMILESOCc1ccc(OCc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C14H12BrFO2/c15-13-7-11(8-17)3-6-14(13)18-9-10-1-4-12(16)5-2-10/h1-7,17H,8-9H2
InChIKeyOOBCKFAHWSVENJ-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methanol (CID 898561) is [3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methanol is OCc1ccc(OCc2ccc(F)cc2)c(Br)c1.
What is the InChIKey of [3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methanol?
The InChIKey is OOBCKFAHWSVENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO2/c15-13-7-11(8-17)3-6-14(13)18-9-10-1-4-12(16)5-2-10/h1-7,17H,8-9H2.
What are the key properties of [3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methanol?
[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methanol has a molecular weight of 311.15 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 898561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).