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

C13H8Br2Cl2O — CID 107978749

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

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

(3,5-dibromophenyl)-(3,4-dichlorophenyl)methanol (PubChem CID 107978749) has the molecular formula C13H8Br2Cl2O and a molecular weight of 410.92 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(3,4-dichlorophenyl)methanol.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
PubChem CID107978749
Molecular FormulaC13H8Br2Cl2O
Molecular Weight410.92 g/mol
Exact Mass407.83
IUPAC Name(3,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
SMILESOC(c1cc(Br)cc(Br)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Br2Cl2O/c14-9-3-8(4-10(15)6-9)13(18)7-1-2-11(16)12(17)5-7/h1-6,13,18H
InChIKeyZBYUPOWHIMSPCJ-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

(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
(2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
CID 63426086
(3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 107947631
[(3,5-dibromophenyl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 107978842
(3-bromofuran-2-yl)-(3,4-dichlorophenyl)methanol
CID 63943199
(R)-(3,4-dichlorophenyl)-(3-fluorophenyl)methanol
CID 7153378
(3,5-dibromophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 107978317
(4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol
CID 102829537
(3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 63428546
1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol
CID 61082396
(3,5-dibromophenyl)-(3-fluorophenyl)methanol
CID 107978141
(5-chlorofuran-2-yl)-(3,4-dichlorophenyl)methanol
CID 106688862

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(3,4-dichlorophenyl)methanol?
The IUPAC name of (3,5-dibromophenyl)-(3,4-dichlorophenyl)methanol (CID 107978749) is (3,5-dibromophenyl)-(3,4-dichlorophenyl)methanol.
What is the SMILES notation for (3,5-dibromophenyl)-(3,4-dichlorophenyl)methanol?
The canonical SMILES for (3,5-dibromophenyl)-(3,4-dichlorophenyl)methanol is OC(c1cc(Br)cc(Br)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,5-dibromophenyl)-(3,4-dichlorophenyl)methanol?
The InChIKey is ZBYUPOWHIMSPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2Cl2O/c14-9-3-8(4-10(15)6-9)13(18)7-1-2-11(16)12(17)5-7/h1-6,13,18H.
What are the key properties of (3,5-dibromophenyl)-(3,4-dichlorophenyl)methanol?
(3,5-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 (3,5-dibromophenyl)-(3,4-dichlorophenyl)methanol is sourced from PubChem (CID 107978749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).