2-(3-bromophenyl)-1-[2-[4-[hydroxy(phenyl)methyl]phenyl]phenyl]ethanol

C27H23BrO2 — CID 175061046

IUPAC2-(3-bromophenyl)-1-[2-[4-[hydroxy(phenyl)methyl]phenyl]phenyl]ethanol
SMILESOC(Cc1cccc(Br)c1)c1ccccc1-c1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C27H23BrO2/c28-23-10-6-7-19(17-23)18-26(29)25-12-5-4-11-24(25)20-13-15-22(16-14-20)27(30)21-8-2-1-3-9-21/h1-17,26-27,29-30H,18H2
InChIKeyCYXITHTUVIMPGA-UHFFFAOYSA-N
MW459.38 g/mol
LogP6.47
Rot. Bonds6

About 2-(3-bromophenyl)-1-[2-[4-[hydroxy(phenyl)methyl]phenyl]phenyl]ethanol

2-(3-bromophenyl)-1-[2-[4-[hydroxy(phenyl)methyl]phenyl]phenyl]ethanol (PubChem CID 175061046) has the molecular formula C27H23BrO2 and a molecular weight of 459.38 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-[2-[4-[hydroxy(phenyl)methyl]phenyl]phenyl]ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-[2-[4-[hydroxy(phenyl)methyl]phenyl]phenyl]ethanol
PubChem CID175061046
Molecular FormulaC27H23BrO2
Molecular Weight459.38 g/mol
Exact Mass458.09
IUPAC Name2-(3-bromophenyl)-1-[2-[4-[hydroxy(phenyl)methyl]phenyl]phenyl]ethanol
SMILESOC(Cc1cccc(Br)c1)c1ccccc1-c1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C27H23BrO2/c28-23-10-6-7-19(17-23)18-26(29)25-12-5-4-11-24(25)20-13-15-22(16-14-20)27(30)21-8-2-1-3-9-21/h1-17,26-27,29-30H,18H2
InChIKeyCYXITHTUVIMPGA-UHFFFAOYSA-N
XLogP6.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.38
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-[2-[4-[hydroxy(phenyl)methyl]phenyl]phenyl]ethanol?
The IUPAC name of 2-(3-bromophenyl)-1-[2-[4-[hydroxy(phenyl)methyl]phenyl]phenyl]ethanol (CID 175061046) is 2-(3-bromophenyl)-1-[2-[4-[hydroxy(phenyl)methyl]phenyl]phenyl]ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-[2-[4-[hydroxy(phenyl)methyl]phenyl]phenyl]ethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-[2-[4-[hydroxy(phenyl)methyl]phenyl]phenyl]ethanol is OC(Cc1cccc(Br)c1)c1ccccc1-c1ccc(C(O)c2ccccc2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-1-[2-[4-[hydroxy(phenyl)methyl]phenyl]phenyl]ethanol?
The InChIKey is CYXITHTUVIMPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BrO2/c28-23-10-6-7-19(17-23)18-26(29)25-12-5-4-11-24(25)20-13-15-22(16-14-20)27(30)21-8-2-1-3-9-21/h1-17,26-27,29-30H,18H2.
What are the key properties of 2-(3-bromophenyl)-1-[2-[4-[hydroxy(phenyl)methyl]phenyl]phenyl]ethanol?
2-(3-bromophenyl)-1-[2-[4-[hydroxy(phenyl)methyl]phenyl]phenyl]ethanol has a molecular weight of 459.38 g/mol, XLogP of 6.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-[2-[4-[hydroxy(phenyl)methyl]phenyl]phenyl]ethanol is sourced from PubChem (CID 175061046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).