(5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol

C16H16BrFO — CID 64985386

IUPAC(5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cc(Br)ccc2F)cc1C
InChIInChI=1S/C16H16BrFO/c1-9-6-11(3)13(7-10(9)2)16(19)14-8-12(17)4-5-15(14)18/h4-8,16,19H,1-3H3
InChIKeyNVUDFFBFDADFOX-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.60
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol

(5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol (PubChem CID 64985386) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
PubChem CID64985386
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name(5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cc(Br)ccc2F)cc1C
InChIInChI=1S/C16H16BrFO/c1-9-6-11(3)13(7-10(9)2)16(19)14-8-12(17)4-5-15(14)18/h4-8,16,19H,1-3H3
InChIKeyNVUDFFBFDADFOX-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61082293
(5-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
CID 63894128
(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807083
(2,4-dibromophenyl)-(2,4,5-trimethylphenyl)methanol
CID 107947548
(5-bromo-2-fluorophenyl)-(4-bromo-3-methylphenyl)methanol
CID 81447497
(5-bromo-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanol
CID 115820779
(4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol
CID 114374820
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromo-2-fluorophenyl)methanol
CID 103395971
(5-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82805632
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807096
(4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol
CID 61087729
(5-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanol
CID 81431062

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol (CID 64985386) is (5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol is Cc1cc(C)c(C(O)c2cc(Br)ccc2F)cc1C.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol?
The InChIKey is NVUDFFBFDADFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-9-6-11(3)13(7-10(9)2)16(19)14-8-12(17)4-5-15(14)18/h4-8,16,19H,1-3H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol?
(5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol has a molecular weight of 323.21 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol is sourced from PubChem (CID 64985386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).