2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)cyclopropyl]phenol

C15H12Br2O2 — CID 139838331

IUPAC2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)cyclopropyl]phenol
SMILESOc1ccc(C2(c3ccc(O)c(Br)c3)CC2)cc1Br
InChIInChI=1S/C15H12Br2O2/c16-11-7-9(1-3-13(11)18)15(5-6-15)10-2-4-14(19)12(17)8-10/h1-4,7-8,18-19H,5-6H2
InChIKeyIMNDELGYTYUEQP-UHFFFAOYSA-N
MW384.07 g/mol
LogP4.70
Rot. Bonds2

About 2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)cyclopropyl]phenol

2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)cyclopropyl]phenol (PubChem CID 139838331) has the molecular formula C15H12Br2O2 and a molecular weight of 384.07 g/mol. Its IUPAC name is 2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)cyclopropyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)cyclopropyl]phenol
PubChem CID139838331
Molecular FormulaC15H12Br2O2
Molecular Weight384.07 g/mol
Exact Mass381.92
IUPAC Name2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)cyclopropyl]phenol
SMILESOc1ccc(C2(c3ccc(O)c(Br)c3)CC2)cc1Br
InChIInChI=1S/C15H12Br2O2/c16-11-7-9(1-3-13(11)18)15(5-6-15)10-2-4-14(19)12(17)8-10/h1-4,7-8,18-19H,5-6H2
InChIKeyIMNDELGYTYUEQP-UHFFFAOYSA-N
XLogP4.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)cyclopropyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)cyclopropyl]phenol?
The IUPAC name of 2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)cyclopropyl]phenol (CID 139838331) is 2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)cyclopropyl]phenol.
What is the SMILES notation for 2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)cyclopropyl]phenol?
The canonical SMILES for 2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)cyclopropyl]phenol is Oc1ccc(C2(c3ccc(O)c(Br)c3)CC2)cc1Br.
What is the InChIKey of 2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)cyclopropyl]phenol?
The InChIKey is IMNDELGYTYUEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O2/c16-11-7-9(1-3-13(11)18)15(5-6-15)10-2-4-14(19)12(17)8-10/h1-4,7-8,18-19H,5-6H2.
What are the key properties of 2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)cyclopropyl]phenol?
2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)cyclopropyl]phenol has a molecular weight of 384.07 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)cyclopropyl]phenol is sourced from PubChem (CID 139838331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).