(4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol

C13H8BrClF2O — CID 105399342

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol
SMILESOC(c1cccc(F)c1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C13H8BrClF2O/c14-10-6-12(17)9(5-11(10)15)13(18)7-2-1-3-8(16)4-7/h1-6,13,18H
InChIKeyPYYHWYPHOFDRFV-UHFFFAOYSA-N
MW333.56 g/mol
LogP4.46
Rot. Bonds2

About (4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol

(4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol (PubChem CID 105399342) has the molecular formula C13H8BrClF2O and a molecular weight of 333.56 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol
PubChem CID105399342
Molecular FormulaC13H8BrClF2O
Molecular Weight333.56 g/mol
Exact Mass331.94
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol
SMILESOC(c1cccc(F)c1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C13H8BrClF2O/c14-10-6-12(17)9(5-11(10)15)13(18)7-2-1-3-8(16)4-7/h1-6,13,18H
InChIKeyPYYHWYPHOFDRFV-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 54.46
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

(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-chlorophenyl)methanol
CID 107991356
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 105399544
(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol
CID 105399299
(4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 105399490
(5-bromo-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 63893368
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol
CID 107955780
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 105399539
4-bromo-2-fluoro-5-[(3-fluorophenyl)-hydroxymethyl]benzonitrile
CID 121418289
(4-bromothiophen-3-yl)-(3-fluorophenyl)methanol
CID 79595378
(3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105393805
(2-chloro-6-fluorophenyl)-(3-fluorophenyl)methanol
CID 63896004
(2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol
CID 64915603

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol (CID 105399342) is (4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol is OC(c1cccc(F)c1)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol?
The InChIKey is PYYHWYPHOFDRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2O/c14-10-6-12(17)9(5-11(10)15)13(18)7-2-1-3-8(16)4-7/h1-6,13,18H.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol?
(4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol has a molecular weight of 333.56 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol is sourced from PubChem (CID 105399342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).