(3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol

C14H10Br2F2O — CID 106945118

IUPAC(3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol
SMILESCc1cc(Br)cc(C(O)c2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C14H10Br2F2O/c1-7-4-8(6-9(15)5-7)14(19)12-11(17)3-2-10(16)13(12)18/h2-6,14,19H,1H3
InChIKeyBGKXMVWNBUVCNU-UHFFFAOYSA-N
MW392.04 g/mol
LogP4.88
Rot. Bonds2

About (3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol

(3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol (PubChem CID 106945118) has the molecular formula C14H10Br2F2O and a molecular weight of 392.04 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol
PubChem CID106945118
Molecular FormulaC14H10Br2F2O
Molecular Weight392.04 g/mol
Exact Mass389.91
IUPAC Name(3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol
SMILESCc1cc(Br)cc(C(O)c2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C14H10Br2F2O/c1-7-4-8(6-9(15)5-7)14(19)12-11(17)3-2-10(16)13(12)18/h2-6,14,19H,1H3
InChIKeyBGKXMVWNBUVCNU-UHFFFAOYSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.04
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225
(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879416
(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 114979573
(3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol
CID 106941526
[(3-bromo-5-methylphenyl)-(2,6-difluoro-3-methylphenyl)methyl]hydrazine
CID 105330192
(3,5-dibromophenyl)-(2,4,6-trimethylphenyl)methanol
CID 107980714
(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol
CID 114019455
1-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)-N-methylmethanamine
CID 106944481
(3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 107985905
(3,5-dibromophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 107978317
(3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 66424633
1-(3-bromo-5-methylphenyl)ethanol
CID 84680750

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol (CID 106945118) is (3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol is Cc1cc(Br)cc(C(O)c2c(F)ccc(Br)c2F)c1.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol?
The InChIKey is BGKXMVWNBUVCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F2O/c1-7-4-8(6-9(15)5-7)14(19)12-11(17)3-2-10(16)13(12)18/h2-6,14,19H,1H3.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol?
(3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol has a molecular weight of 392.04 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol is sourced from PubChem (CID 106945118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).