1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol

C14H10Br2Cl2O2 — CID 139745260

IUPAC1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
SMILESOC(c1cc(Cl)cc(Br)c1)C(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H10Br2Cl2O2/c15-9-1-7(3-11(17)5-9)13(19)14(20)8-2-10(16)6-12(18)4-8/h1-6,13-14,19-20H
InChIKeyNUYUIGXPPRWAHC-UHFFFAOYSA-N
MW440.95 g/mol
LogP5.29
Rot. Bonds3

About 1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol

1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol (PubChem CID 139745260) has the molecular formula C14H10Br2Cl2O2 and a molecular weight of 440.95 g/mol. Its IUPAC name is 1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
PubChem CID139745260
Molecular FormulaC14H10Br2Cl2O2
Molecular Weight440.95 g/mol
Exact Mass437.84
IUPAC Name1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
SMILESOC(c1cc(Cl)cc(Br)c1)C(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H10Br2Cl2O2/c15-9-1-7(3-11(17)5-9)13(19)14(20)8-2-10(16)6-12(18)4-8/h1-6,13-14,19-20H
InChIKeyNUYUIGXPPRWAHC-UHFFFAOYSA-N
XLogP5.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.95
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol
CID 107954978
3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 107954971
(3-bromo-5-chlorophenyl)-(furan-3-yl)methanol
CID 107947484
(3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107955365
1-(3-bromo-5-chlorophenyl)-2-methoxyethanol
CID 107947641
3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol
CID 107955038
1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 107946254
(3-bromo-5-chlorophenyl)-(2-chlorophenyl)methanol
CID 107947286
(3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 107955397
2-(3-bromo-5-chlorophenyl)propanoyl chloride
CID 57458809
3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol
CID 130002447
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene
CID 107955839

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol?
The IUPAC name of 1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol (CID 139745260) is 1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol.
What is the SMILES notation for 1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol?
The canonical SMILES for 1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol is OC(c1cc(Cl)cc(Br)c1)C(O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol?
The InChIKey is NUYUIGXPPRWAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2Cl2O2/c15-9-1-7(3-11(17)5-9)13(19)14(20)8-2-10(16)6-12(18)4-8/h1-6,13-14,19-20H.
What are the key properties of 1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol?
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol has a molecular weight of 440.95 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol is sourced from PubChem (CID 139745260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).