[2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol

C14H12BrFO2 — CID 114060424

IUPAC[2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol
SMILESCc1ccc(F)cc1Oc1ccc(CO)c(Br)c1
InChIInChI=1S/C14H12BrFO2/c1-9-2-4-11(16)6-14(9)18-12-5-3-10(8-17)13(15)7-12/h2-7,17H,8H2,1H3
InChIKeyBFBGOQRSDBPVMN-UHFFFAOYSA-N
MW311.15 g/mol
LogP4.18
Rot. Bonds3

About [2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol

[2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol (PubChem CID 114060424) has the molecular formula C14H12BrFO2 and a molecular weight of 311.15 g/mol. Its IUPAC name is [2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol
PubChem CID114060424
Molecular FormulaC14H12BrFO2
Molecular Weight311.15 g/mol
Exact Mass310.00
IUPAC Name[2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol
SMILESCc1ccc(F)cc1Oc1ccc(CO)c(Br)c1
InChIInChI=1S/C14H12BrFO2/c1-9-2-4-11(16)6-14(9)18-12-5-3-10(8-17)13(15)7-12/h2-7,17H,8H2,1H3
InChIKeyBFBGOQRSDBPVMN-UHFFFAOYSA-N
XLogP4.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol
CID 107284920
[3-fluoro-5-(5-fluoro-2-methylphenoxy)phenyl]methanol
CID 106530242
[2-bromo-4-(2-chlorophenoxy)phenyl]methanol
CID 114060389
[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83235131
1-[3-bromo-4-(bromomethyl)phenoxy]-4,5-difluoro-2-methylbenzene
CID 114276748
[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83234633
[2-(5-fluoro-2-methylphenoxy)-4-methoxyphenyl]methanamine
CID 102980112
[2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol
CID 114060386
[4-(5-fluoro-2-nitrophenoxy)-2-methylphenyl]methanol
CID 62134721
1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
CID 102983162
[2-bromo-4-(4-chlorophenoxy)phenyl]methanol
CID 66738685
[4-(2-methoxyphenoxy)-2-methylphenyl]methanol
CID 62136414

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol?
The IUPAC name of [2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol (CID 114060424) is [2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol.
What is the SMILES notation for [2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol?
The canonical SMILES for [2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol is Cc1ccc(F)cc1Oc1ccc(CO)c(Br)c1.
What is the InChIKey of [2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol?
The InChIKey is BFBGOQRSDBPVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO2/c1-9-2-4-11(16)6-14(9)18-12-5-3-10(8-17)13(15)7-12/h2-7,17H,8H2,1H3.
What are the key properties of [2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol?
[2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol has a molecular weight of 311.15 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol is sourced from PubChem (CID 114060424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).