(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanol

C16H15Br2FO2 — CID 107955751

IUPAC(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanol
SMILESCOc1c(C)cc(Br)c(C)c1C(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H15Br2FO2/c1-8-6-11(17)9(2)14(16(8)21-3)15(20)10-4-5-13(19)12(18)7-10/h4-7,15,20H,1-3H3
InChIKeyOIQQWYBBHHVQIU-UHFFFAOYSA-N
MW418.10 g/mol
LogP5.06
Rot. Bonds3

About (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanol

(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanol (PubChem CID 107955751) has the molecular formula C16H15Br2FO2 and a molecular weight of 418.10 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanol
PubChem CID107955751
Molecular FormulaC16H15Br2FO2
Molecular Weight418.10 g/mol
Exact Mass415.94
IUPAC Name(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanol
SMILESCOc1c(C)cc(Br)c(C)c1C(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H15Br2FO2/c1-8-6-11(17)9(2)14(16(8)21-3)15(20)10-4-5-13(19)12(18)7-10/h4-7,15,20H,1-3H3
InChIKeyOIQQWYBBHHVQIU-UHFFFAOYSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.10
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-[(3-bromo-4-fluorophenyl)-chloromethyl]-4-methoxy-2,5-dimethylbenzene
CID 107959131
(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 79746374
(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107955586
(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284804
(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol
CID 107955646
(3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83067897
(3-bromo-4-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107955698
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 79697409
(4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 63426192
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
CID 79746542
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
(3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 79747205

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanol (CID 107955751) is (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanol is COc1c(C)cc(Br)c(C)c1C(O)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanol?
The InChIKey is OIQQWYBBHHVQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2FO2/c1-8-6-11(17)9(2)14(16(8)21-3)15(20)10-4-5-13(19)12(18)7-10/h4-7,15,20H,1-3H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanol?
(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanol has a molecular weight of 418.10 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanol is sourced from PubChem (CID 107955751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).