[4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol

C16H15BrF2O2 — CID 115402414

IUPAC[4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol
SMILESCC(C)c1cc(Br)ccc1Oc1c(F)cc(CO)cc1F
InChIInChI=1S/C16H15BrF2O2/c1-9(2)12-7-11(17)3-4-15(12)21-16-13(18)5-10(8-20)6-14(16)19/h3-7,9,20H,8H2,1-2H3
InChIKeyMAPCZJPXHVVMMH-UHFFFAOYSA-N
MW357.19 g/mol
LogP5.14
Rot. Bonds4

About [4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol

[4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol (PubChem CID 115402414) has the molecular formula C16H15BrF2O2 and a molecular weight of 357.19 g/mol. Its IUPAC name is [4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol
PubChem CID115402414
Molecular FormulaC16H15BrF2O2
Molecular Weight357.19 g/mol
Exact Mass356.02
IUPAC Name[4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol
SMILESCC(C)c1cc(Br)ccc1Oc1c(F)cc(CO)cc1F
InChIInChI=1S/C16H15BrF2O2/c1-9(2)12-7-11(17)3-4-15(12)21-16-13(18)5-10(8-20)6-14(16)19/h3-7,9,20H,8H2,1-2H3
InChIKeyMAPCZJPXHVVMMH-UHFFFAOYSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.19
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-propan-2-ylphenoxy)-4-(chloromethyl)-2-fluorobenzene
CID 115402447
[2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol
CID 114846232
[4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol
CID 63078112
[4-(2,4-dibromophenoxy)-3-fluorophenyl]methanol
CID 64720660
[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077759
[4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine
CID 64720890
5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene
CID 107087316
2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402942
4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
CID 22039362
[4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 107659098
5-(chloromethyl)-1,3-difluoro-2-(5-methyl-2-propan-2-ylphenoxy)benzene
CID 63567841
[4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077057

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol?
The IUPAC name of [4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol (CID 115402414) is [4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol is CC(C)c1cc(Br)ccc1Oc1c(F)cc(CO)cc1F.
What is the InChIKey of [4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol?
The InChIKey is MAPCZJPXHVVMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2O2/c1-9(2)12-7-11(17)3-4-15(12)21-16-13(18)5-10(8-20)6-14(16)19/h3-7,9,20H,8H2,1-2H3.
What are the key properties of [4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol?
[4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol has a molecular weight of 357.19 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol is sourced from PubChem (CID 115402414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).