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

C14H10BrClF2O — CID 105399490

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2cc(Cl)c(Br)cc2F)ccc1F
InChIInChI=1S/C14H10BrClF2O/c1-7-4-8(2-3-12(7)17)14(19)9-5-11(16)10(15)6-13(9)18/h2-6,14,19H,1H3
InChIKeyRRTDIPMGUOJJOL-UHFFFAOYSA-N
MW347.59 g/mol
LogP4.77
Rot. Bonds2

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

(4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol (PubChem CID 105399490) has the molecular formula C14H10BrClF2O and a molecular weight of 347.59 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
PubChem CID105399490
Molecular FormulaC14H10BrClF2O
Molecular Weight347.59 g/mol
Exact Mass345.96
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2cc(Cl)c(Br)cc2F)ccc1F
InChIInChI=1S/C14H10BrClF2O/c1-7-4-8(2-3-12(7)17)14(19)9-5-11(16)10(15)6-13(9)18/h2-6,14,19H,1H3
InChIKeyRRTDIPMGUOJJOL-UHFFFAOYSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 54.77
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
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 105399539
(2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 115484419
(4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 105399342
(3-bromo-4-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107955698
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol
CID 107955780
(3,5-dichlorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63899311
(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 55152989
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 107955735
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735
(5-bromo-2-fluorophenyl)-(4-bromo-3-methylphenyl)methanol
CID 81447497

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol (CID 105399490) is (4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol is Cc1cc(C(O)c2cc(Cl)c(Br)cc2F)ccc1F.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol?
The InChIKey is RRTDIPMGUOJJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2O/c1-7-4-8(2-3-12(7)17)14(19)9-5-11(16)10(15)6-13(9)18/h2-6,14,19H,1H3.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol?
(4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol has a molecular weight of 347.59 g/mol, XLogP of 4.77, 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)-(4-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 105399490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).