(4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol

C11H6Br2ClFO2 — CID 106859646

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol
SMILESOC(c1ccoc1Br)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H6Br2ClFO2/c12-7-2-1-5(9(15)8(7)14)10(16)6-3-4-17-11(6)13/h1-4,10,16H
InChIKeyPSECCILCRYLQSA-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.68
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol

(4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol (PubChem CID 106859646) has the molecular formula C11H6Br2ClFO2 and a molecular weight of 384.43 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol
PubChem CID106859646
Molecular FormulaC11H6Br2ClFO2
Molecular Weight384.43 g/mol
Exact Mass381.84
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol
SMILESOC(c1ccoc1Br)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H6Br2ClFO2/c12-7-2-1-5(9(15)8(7)14)10(16)6-3-4-17-11(6)13/h1-4,10,16H
InChIKeyPSECCILCRYLQSA-UHFFFAOYSA-N
XLogP4.68
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol
CID 106765137
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-fluorophenyl)methanol
CID 106761336
(4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol
CID 106761323
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 106859200
[(4-bromo-3-chloro-2-fluorophenyl)-(2-chlorofuran-3-yl)methyl]hydrazine
CID 106765512
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
CID 106765154
(4-bromo-2-chloro-3-fluorophenyl)methanediol
CID 170133724
1-(4-bromo-3-chloro-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 106765023
(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
CID 106761352
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfanylethanol
CID 106762014
(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 106762057
(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 106761361

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol (CID 106859646) is (4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol is OC(c1ccoc1Br)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol?
The InChIKey is PSECCILCRYLQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2ClFO2/c12-7-2-1-5(9(15)8(7)14)10(16)6-3-4-17-11(6)13/h1-4,10,16H.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol?
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol has a molecular weight of 384.43 g/mol, XLogP of 4.68, 2 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-bromofuran-3-yl)methanol is sourced from PubChem (CID 106859646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).