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

C14H10Br2ClFO2 — CID 106765154

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
SMILESCOc1ccc(Br)c(C(O)c2ccc(Br)c(Cl)c2F)c1
InChIInChI=1S/C14H10Br2ClFO2/c1-20-7-2-4-10(15)9(6-7)14(19)8-3-5-11(16)12(17)13(8)18/h2-6,14,19H,1H3
InChIKeyLPDROXMDEBTERG-UHFFFAOYSA-N
MW424.49 g/mol
LogP5.09
Rot. Bonds3

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

(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol (PubChem CID 106765154) has the molecular formula C14H10Br2ClFO2 and a molecular weight of 424.49 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
PubChem CID106765154
Molecular FormulaC14H10Br2ClFO2
Molecular Weight424.49 g/mol
Exact Mass421.87
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
SMILESCOc1ccc(Br)c(C(O)c2ccc(Br)c(Cl)c2F)c1
InChIInChI=1S/C14H10Br2ClFO2/c1-20-7-2-4-10(15)9(6-7)14(19)8-3-5-11(16)12(17)13(8)18/h2-6,14,19H,1H3
InChIKeyLPDROXMDEBTERG-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_2', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
CID 106648491
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol
CID 106765137
[(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106765355
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-fluorophenyl)methanol
CID 106761336
(2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol
CID 105119649
(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 106762147
(R)-(2-bromo-5-methoxyphenyl)-phenylmethanol
CID 124575991
(4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol
CID 106761323
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol
CID 106859646
(2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol
CID 105131581
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanone
CID 106764172

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol (CID 106765154) is (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol is COc1ccc(Br)c(C(O)c2ccc(Br)c(Cl)c2F)c1.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol?
The InChIKey is LPDROXMDEBTERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClFO2/c1-20-7-2-4-10(15)9(6-7)14(19)8-3-5-11(16)12(17)13(8)18/h2-6,14,19H,1H3.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol?
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-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-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol is sourced from PubChem (CID 106765154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).