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

C14H10Br2ClFO2 — CID 105399539

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(Cl)c(Br)cc2F)cc1Br
InChIInChI=1S/C14H10Br2ClFO2/c1-20-13-3-2-7(4-10(13)16)14(19)8-5-11(17)9(15)6-12(8)18/h2-6,14,19H,1H3
InChIKeyFZVIFROEZVVXSM-UHFFFAOYSA-N
MW424.49 g/mol
LogP5.09
Rot. Bonds3

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

(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol (PubChem CID 105399539) has the molecular formula C14H10Br2ClFO2 and a molecular weight of 424.49 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
PubChem CID105399539
Molecular FormulaC14H10Br2ClFO2
Molecular Weight424.49 g/mol
Exact Mass421.87
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(Cl)c(Br)cc2F)cc1Br
InChIInChI=1S/C14H10Br2ClFO2/c1-20-13-3-2-7(4-10(13)16)14(19)8-5-11(17)9(15)6-12(8)18/h2-6,14,19H,1H3
InChIKeyFZVIFROEZVVXSM-UHFFFAOYSA-N
XLogP5.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
(3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62511360
(4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 105399490
(3-bromo-4-chlorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 82768889
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
(3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol
CID 61100995
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 62660225
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 82772510
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 105057040
(3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103395113

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol (CID 105399539) is (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol is COc1ccc(C(O)c2cc(Cl)c(Br)cc2F)cc1Br.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol?
The InChIKey is FZVIFROEZVVXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClFO2/c1-20-13-3-2-7(4-10(13)16)14(19)8-5-11(17)9(15)6-12(8)18/h2-6,14,19H,1H3.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol?
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol has a molecular weight of 424.49 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol is sourced from PubChem (CID 105399539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).