(4-bromo-2-chloro-3-fluorophenyl)methanediol

C7H5BrClFO2 — CID 170133724

IUPAC(4-bromo-2-chloro-3-fluorophenyl)methanediol
SMILESOC(O)c1ccc(Br)c(F)c1Cl
InChIInChI=1S/C7H5BrClFO2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,7,11-12H
InChIKeyATEJMSOOIOHQMO-UHFFFAOYSA-N
MW255.47 g/mol
LogP2.22
Rot. Bonds1

About (4-bromo-2-chloro-3-fluorophenyl)methanediol

(4-bromo-2-chloro-3-fluorophenyl)methanediol (PubChem CID 170133724) has the molecular formula C7H5BrClFO2 and a molecular weight of 255.47 g/mol. Its IUPAC name is (4-bromo-2-chloro-3-fluorophenyl)methanediol.

Molecular Properties

Compound Name(4-bromo-2-chloro-3-fluorophenyl)methanediol
PubChem CID170133724
Molecular FormulaC7H5BrClFO2
Molecular Weight255.47 g/mol
Exact Mass253.91
IUPAC Name(4-bromo-2-chloro-3-fluorophenyl)methanediol
SMILESOC(O)c1ccc(Br)c(F)c1Cl
InChIInChI=1S/C7H5BrClFO2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,7,11-12H
InChIKeyATEJMSOOIOHQMO-UHFFFAOYSA-N
XLogP2.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-2-chloro-3-methylphenyl)methanediol
CID 170134211
1-(4-bromo-3-chloro-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 106765023
2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid
CID 117420924
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol
CID 106859646
(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
CID 106761352
(4-bromo-2-chloro-3-fluorophenyl)methanol
CID 117351692
1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
CID 106765072
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfanylethanol
CID 106762014
(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
(R)-N-[(1R)-1-(4-bromo-2-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163603996

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chloro-3-fluorophenyl)methanediol?
The IUPAC name of (4-bromo-2-chloro-3-fluorophenyl)methanediol (CID 170133724) is (4-bromo-2-chloro-3-fluorophenyl)methanediol.
What is the SMILES notation for (4-bromo-2-chloro-3-fluorophenyl)methanediol?
The canonical SMILES for (4-bromo-2-chloro-3-fluorophenyl)methanediol is OC(O)c1ccc(Br)c(F)c1Cl.
What is the InChIKey of (4-bromo-2-chloro-3-fluorophenyl)methanediol?
The InChIKey is ATEJMSOOIOHQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,7,11-12H.
What are the key properties of (4-bromo-2-chloro-3-fluorophenyl)methanediol?
(4-bromo-2-chloro-3-fluorophenyl)methanediol has a molecular weight of 255.47 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chloro-3-fluorophenyl)methanediol is sourced from PubChem (CID 170133724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).