(2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol

C13H8Br2Cl2O — CID 63426086

IUPAC(2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C13H8Br2Cl2O/c14-8-2-3-10(15)9(6-8)13(18)7-1-4-11(16)12(17)5-7/h1-6,13,18H
InChIKeySCUYGQNTIHNMKF-UHFFFAOYSA-N
MW410.92 g/mol
LogP5.60
Rot. Bonds2

About (2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol

(2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol (PubChem CID 63426086) has the molecular formula C13H8Br2Cl2O and a molecular weight of 410.92 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
PubChem CID63426086
Molecular FormulaC13H8Br2Cl2O
Molecular Weight410.92 g/mol
Exact Mass407.83
IUPAC Name(2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C13H8Br2Cl2O/c14-8-2-3-10(15)9(6-8)13(18)7-1-4-11(16)12(17)5-7/h1-6,13,18H
InChIKeySCUYGQNTIHNMKF-UHFFFAOYSA-N
XLogP5.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.92
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
CID 107978749
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 61087950
(2,5-dibromophenyl)-(2,6-dichlorophenyl)methanol
CID 63425825
4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene
CID 63436360
(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202
(3-chloro-5-methylphenyl)-(2,5-dibromophenyl)methanol
CID 81324953
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63426128
(5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol
CID 115781626
(2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol
CID 114024842
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107292014
(5-chlorofuran-2-yl)-(3,4-dichlorophenyl)methanol
CID 106688862

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol?
The IUPAC name of (2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol (CID 63426086) is (2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol.
What is the SMILES notation for (2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol?
The canonical SMILES for (2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol is OC(c1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1Br.
What is the InChIKey of (2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol?
The InChIKey is SCUYGQNTIHNMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2Cl2O/c14-8-2-3-10(15)9(6-8)13(18)7-1-4-11(16)12(17)5-7/h1-6,13,18H.
What are the key properties of (2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol?
(2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol has a molecular weight of 410.92 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol is sourced from PubChem (CID 63426086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).