(2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol

C17H18BrFO — CID 115482749

IUPAC(2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol
SMILESCCc1ccc(C(O)c2cccc(F)c2Br)cc1CC
InChIInChI=1S/C17H18BrFO/c1-3-11-8-9-13(10-12(11)4-2)17(20)14-6-5-7-15(19)16(14)18/h5-10,17,20H,3-4H2,1-2H3
InChIKeyJQJQHHWXIHADIU-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.79
Rot. Bonds4

About (2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol

(2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol (PubChem CID 115482749) has the molecular formula C17H18BrFO and a molecular weight of 337.23 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol
PubChem CID115482749
Molecular FormulaC17H18BrFO
Molecular Weight337.23 g/mol
Exact Mass336.05
IUPAC Name(2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol
SMILESCCc1ccc(C(O)c2cccc(F)c2Br)cc1CC
InChIInChI=1S/C17H18BrFO/c1-3-11-8-9-13(10-12(11)4-2)17(20)14-6-5-7-15(19)16(14)18/h5-10,17,20H,3-4H2,1-2H3
InChIKeyJQJQHHWXIHADIU-UHFFFAOYSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-[bromo-(3,4-diethylphenyl)methyl]-3-fluorobenzene
CID 115482974
(2-bromophenyl)-(3,4-diethylphenyl)methanol
CID 115482670
(3,4-diethylphenyl)-(2-ethoxyphenyl)methanol
CID 115482646
(4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol
CID 115482586
(2-bromo-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114024297
(2-bromo-3-fluorophenyl)-quinolin-7-ylmethanol
CID 115827043
(2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol
CID 115781566
(3-bromophenyl)-(2-ethylphenyl)methanol
CID 91657859
(2-bromo-3-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294068
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
1-(2-bromo-3-fluorophenyl)butan-1-ol
CID 58572720
1-(3-bromo-2-fluorophenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 107950854

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol?
The IUPAC name of (2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol (CID 115482749) is (2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol is CCc1ccc(C(O)c2cccc(F)c2Br)cc1CC.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol?
The InChIKey is JQJQHHWXIHADIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO/c1-3-11-8-9-13(10-12(11)4-2)17(20)14-6-5-7-15(19)16(14)18/h5-10,17,20H,3-4H2,1-2H3.
What are the key properties of (2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol?
(2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol has a molecular weight of 337.23 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol is sourced from PubChem (CID 115482749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).