(4-bromophenyl)-(2,6-difluorophenyl)methanol

C13H9BrF2O — CID 61100872

IUPAC(4-bromophenyl)-(2,6-difluorophenyl)methanol
SMILESOC(c1ccc(Br)cc1)c1c(F)cccc1F
InChIInChI=1S/C13H9BrF2O/c14-9-6-4-8(5-7-9)13(17)12-10(15)2-1-3-11(12)16/h1-7,13,17H
InChIKeySWKAWCXPBAVRRI-UHFFFAOYSA-N
MW299.11 g/mol
LogP3.81
Rot. Bonds2

About (4-bromophenyl)-(2,6-difluorophenyl)methanol

(4-bromophenyl)-(2,6-difluorophenyl)methanol (PubChem CID 61100872) has the molecular formula C13H9BrF2O and a molecular weight of 299.11 g/mol. Its IUPAC name is (4-bromophenyl)-(2,6-difluorophenyl)methanol.

Molecular Properties

Compound Name(4-bromophenyl)-(2,6-difluorophenyl)methanol
PubChem CID61100872
Molecular FormulaC13H9BrF2O
Molecular Weight299.11 g/mol
Exact Mass297.98
IUPAC Name(4-bromophenyl)-(2,6-difluorophenyl)methanol
SMILESOC(c1ccc(Br)cc1)c1c(F)cccc1F
InChIInChI=1S/C13H9BrF2O/c14-9-6-4-8(5-7-9)13(17)12-10(15)2-1-3-11(12)16/h1-7,13,17H
InChIKeySWKAWCXPBAVRRI-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,6-difluorophenyl)-(4-methylphenyl)methanol
CID 61101417
(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol
CID 114019455
(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methanol
CID 114560429
(S)-(4-bromophenyl)-phenylmethanol
CID 778571
2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene
CID 65434828
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
CID 79746542
(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 79746374
(2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol
CID 114885765
(2-bromo-6-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 114560510
(2,6-difluorophenyl)-(6-methyl-3-pyridinyl)methanol
CID 63893537
(2,6-difluorophenyl)-(furan-3-yl)methanol
CID 63948954
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 61099841

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2,6-difluorophenyl)methanol?
The IUPAC name of (4-bromophenyl)-(2,6-difluorophenyl)methanol (CID 61100872) is (4-bromophenyl)-(2,6-difluorophenyl)methanol.
What is the SMILES notation for (4-bromophenyl)-(2,6-difluorophenyl)methanol?
The canonical SMILES for (4-bromophenyl)-(2,6-difluorophenyl)methanol is OC(c1ccc(Br)cc1)c1c(F)cccc1F.
What is the InChIKey of (4-bromophenyl)-(2,6-difluorophenyl)methanol?
The InChIKey is SWKAWCXPBAVRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2O/c14-9-6-4-8(5-7-9)13(17)12-10(15)2-1-3-11(12)16/h1-7,13,17H.
What are the key properties of (4-bromophenyl)-(2,6-difluorophenyl)methanol?
(4-bromophenyl)-(2,6-difluorophenyl)methanol has a molecular weight of 299.11 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2,6-difluorophenyl)methanol is sourced from PubChem (CID 61100872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).