[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol

C14H11BrF2O2 — CID 107690498

IUPAC[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol
SMILESOCc1ccc(OCc2cccc(F)c2Br)c(F)c1
InChIInChI=1S/C14H11BrF2O2/c15-14-10(2-1-3-11(14)16)8-19-13-5-4-9(7-18)6-12(13)17/h1-6,18H,7-8H2
InChIKeyVFPWNZXLTDZTMP-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.80
Rot. Bonds4

About [4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol

[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol (PubChem CID 107690498) has the molecular formula C14H11BrF2O2 and a molecular weight of 329.14 g/mol. Its IUPAC name is [4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol
PubChem CID107690498
Molecular FormulaC14H11BrF2O2
Molecular Weight329.14 g/mol
Exact Mass327.99
IUPAC Name[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol
SMILESOCc1ccc(OCc2cccc(F)c2Br)c(F)c1
InChIInChI=1S/C14H11BrF2O2/c15-14-10(2-1-3-11(14)16)8-19-13-5-4-9(7-18)6-12(13)17/h1-6,18H,7-8H2
InChIKeyVFPWNZXLTDZTMP-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 107693014
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 107690673
[3-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 107690953
[3-fluoro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 107690934
[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol
CID 107690477
[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
CID 82828276
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686266
[3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol
CID 81269477
[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850115
2-[(2-bromo-3-fluorophenyl)methoxy]-4-fluorobenzoic acid
CID 107014584
1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686784
[5-bromo-2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanol
CID 89437129

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol?
The IUPAC name of [4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol (CID 107690498) is [4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol?
The canonical SMILES for [4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol is OCc1ccc(OCc2cccc(F)c2Br)c(F)c1.
What is the InChIKey of [4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol?
The InChIKey is VFPWNZXLTDZTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O2/c15-14-10(2-1-3-11(14)16)8-19-13-5-4-9(7-18)6-12(13)17/h1-6,18H,7-8H2.
What are the key properties of [4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol?
[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol has a molecular weight of 329.14 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol is sourced from PubChem (CID 107690498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).