3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol

C16H16BrFO — CID 79418016

IUPAC3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(CO)Cc1ccc(Br)cc1F
InChIInChI=1S/C16H16BrFO/c1-11-4-2-3-5-15(11)13(10-19)8-12-6-7-14(17)9-16(12)18/h2-7,9,13,19H,8,10H2,1H3
InChIKeyWSXMVBSGXPUTRU-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.22
Rot. Bonds4

About 3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol

3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol (PubChem CID 79418016) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol
PubChem CID79418016
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(CO)Cc1ccc(Br)cc1F
InChIInChI=1S/C16H16BrFO/c1-11-4-2-3-5-15(11)13(10-19)8-12-6-7-14(17)9-16(12)18/h2-7,9,13,19H,8,10H2,1H3
InChIKeyWSXMVBSGXPUTRU-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060157
3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438236
4-bromo-1-[3-bromo-2-(2-fluorophenyl)propyl]-2-fluorobenzene
CID 79454541
(4-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
CID 63894705
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375118
2-(4-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115788462
3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421165
[2-(4-bromo-2-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105297488
3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
CID 79420784
[2-(4-bromo-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethyl]hydrazine
CID 105297343
1-(3-bromo-2-fluorophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 107954007
2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 62606952

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol (CID 79418016) is 3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol is Cc1ccccc1C(CO)Cc1ccc(Br)cc1F.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol?
The InChIKey is WSXMVBSGXPUTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-11-4-2-3-5-15(11)13(10-19)8-12-6-7-14(17)9-16(12)18/h2-7,9,13,19H,8,10H2,1H3.
What are the key properties of 3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol?
3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol has a molecular weight of 323.21 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 79418016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).