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

C17H18BrFO — CID 63426192

IUPAC(4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
SMILESCc1cc(C)c(C)c(C(O)c2ccc(Br)c(F)c2)c1C
InChIInChI=1S/C17H18BrFO/c1-9-7-10(2)12(4)16(11(9)3)17(20)13-5-6-14(18)15(19)8-13/h5-8,17,20H,1-4H3
InChIKeyRHSMCETYQPHLHZ-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.90
Rot. Bonds2

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

(4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol (PubChem CID 63426192) has the molecular formula C17H18BrFO and a molecular weight of 337.23 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
PubChem CID63426192
Molecular FormulaC17H18BrFO
Molecular Weight337.23 g/mol
Exact Mass336.05
IUPAC Name(4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
SMILESCc1cc(C)c(C)c(C(O)c2ccc(Br)c(F)c2)c1C
InChIInChI=1S/C17H18BrFO/c1-9-7-10(2)12(4)16(11(9)3)17(20)13-5-6-14(18)15(19)8-13/h5-8,17,20H,1-4H3
InChIKeyRHSMCETYQPHLHZ-UHFFFAOYSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 81294910
(4-bromo-3-fluorophenyl)-(3-methylphenyl)methanol
CID 81437315
1-[bromo-(4-bromo-3-fluorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63438166
(4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81293215
(4-bromo-3-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884138
(2-bromo-6-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 114560510
(4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990701
(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanol
CID 107955751
1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol
CID 164892190
(4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 81437123
(5-bromo-2-fluorophenyl)-(4-bromo-3-methylphenyl)methanol
CID 81447497
(4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027240

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol?
The IUPAC name of (4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol (CID 63426192) is (4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol is Cc1cc(C)c(C)c(C(O)c2ccc(Br)c(F)c2)c1C.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol?
The InChIKey is RHSMCETYQPHLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO/c1-9-7-10(2)12(4)16(11(9)3)17(20)13-5-6-14(18)15(19)8-13/h5-8,17,20H,1-4H3.
What are the key properties of (4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol?
(4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol has a molecular weight of 337.23 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol is sourced from PubChem (CID 63426192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).