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

C14H10Br2F2O — CID 107985905

IUPAC(3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2c(F)ccc(Br)c2F)c1Br
InChIInChI=1S/C14H10Br2F2O/c1-7-3-2-4-8(12(7)16)14(19)11-10(17)6-5-9(15)13(11)18/h2-6,14,19H,1H3
InChIKeyIDLSTFFFMHHEGY-UHFFFAOYSA-N
MW392.04 g/mol
LogP4.88
Rot. Bonds2

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

(3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol (PubChem CID 107985905) has the molecular formula C14H10Br2F2O and a molecular weight of 392.04 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol
PubChem CID107985905
Molecular FormulaC14H10Br2F2O
Molecular Weight392.04 g/mol
Exact Mass389.91
IUPAC Name(3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2c(F)ccc(Br)c2F)c1Br
InChIInChI=1S/C14H10Br2F2O/c1-7-3-2-4-8(12(7)16)14(19)11-10(17)6-5-9(15)13(11)18/h2-6,14,19H,1H3
InChIKeyIDLSTFFFMHHEGY-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

(2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 107985811
(3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol
CID 107103554
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
CID 106644550
(2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol
CID 107983315
(2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol
CID 107985803
1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 106944665
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
[(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine
CID 106945251
(3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol
CID 106945108
(2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 107985786
(2-bromo-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114024297

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol (CID 107985905) is (3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol is Cc1cccc(C(O)c2c(F)ccc(Br)c2F)c1Br.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol?
The InChIKey is IDLSTFFFMHHEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F2O/c1-7-3-2-4-8(12(7)16)14(19)11-10(17)6-5-9(15)13(11)18/h2-6,14,19H,1H3.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol?
(3-bromo-2,6-difluorophenyl)-(2-bromo-3-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)-(2-bromo-3-methylphenyl)methanol is sourced from PubChem (CID 107985905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).