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

C14H11BrClFO2 — CID 114850115

IUPAC[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
SMILESOCc1ccc(OCc2ccc(Cl)cc2F)c(Br)c1
InChIInChI=1S/C14H11BrClFO2/c15-12-5-9(7-18)1-4-14(12)19-8-10-2-3-11(16)6-13(10)17/h1-6,18H,7-8H2
InChIKeyBGSDQCWCIMJSSI-UHFFFAOYSA-N
MW345.60 g/mol
LogP4.31
Rot. Bonds4

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

[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol (PubChem CID 114850115) has the molecular formula C14H11BrClFO2 and a molecular weight of 345.60 g/mol. Its IUPAC name is [3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
PubChem CID114850115
Molecular FormulaC14H11BrClFO2
Molecular Weight345.60 g/mol
Exact Mass343.96
IUPAC Name[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
SMILESOCc1ccc(OCc2ccc(Cl)cc2F)c(Br)c1
InChIInChI=1S/C14H11BrClFO2/c15-12-5-9(7-18)1-4-14(12)19-8-10-2-3-11(16)6-13(10)17/h1-6,18H,7-8H2
InChIKeyBGSDQCWCIMJSSI-UHFFFAOYSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850107
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
2-bromo-1-[(4-bromo-2-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63536412
[3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 114850111
2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
CID 146003855
[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
CID 114062434
1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 114849366
1-[(4-bromo-2-fluorophenyl)methoxy]-4-(bromomethyl)-2-chlorobenzene
CID 63534537
[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 102974846
[3-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]methanol
CID 114850200
[4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 103046919
5-bromo-1-[(4-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 107098658

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol (CID 114850115) is [3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol is OCc1ccc(OCc2ccc(Cl)cc2F)c(Br)c1.
What is the InChIKey of [3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol?
The InChIKey is BGSDQCWCIMJSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO2/c15-12-5-9(7-18)1-4-14(12)19-8-10-2-3-11(16)6-13(10)17/h1-6,18H,7-8H2.
What are the key properties of [3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol?
[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol has a molecular weight of 345.60 g/mol, XLogP of 4.31, 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-chloro-2-fluorophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 114850115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).