2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde

C14H11BrO2 — CID 159871712

IUPAC2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde
SMILESO=CC(c1ccccc1)c1cc(Br)ccc1O
InChIInChI=1S/C14H11BrO2/c15-11-6-7-14(17)12(8-11)13(9-16)10-4-2-1-3-5-10/h1-9,13,17H
InChIKeyQKYPQRNSUKZXKT-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.49
Rot. Bonds3

About 2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde

2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde (PubChem CID 159871712) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde
PubChem CID159871712
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde
SMILESO=CC(c1ccccc1)c1cc(Br)ccc1O
InChIInChI=1S/C14H11BrO2/c15-11-6-7-14(17)12(8-11)13(9-16)10-4-2-1-3-5-10/h1-9,13,17H
InChIKeyQKYPQRNSUKZXKT-UHFFFAOYSA-N
XLogP3.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde
CID 159871714
2-[bis(phenylsulfanyl)methyl]-4-bromophenol
CID 11729132
4-bromo-2-[diphenylphosphoryl(hydroxy)methyl]phenol
CID 2776629
(3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 1314550
(3S)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 1314551
3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide
CID 2925351
2-(2-methylphenyl)-2-phenylacetaldehyde
CID 76507098
2-(3,5-ditert-butylphenyl)-2-(2-hydroxyphenyl)acetaldehyde
CID 158772141
[(3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenylpropyl]-methyl-di(propan-2-yl)azanium
CID 10140902
(3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 1331148
4-bromo-2-[1-(N-methylanilino)ethyl]phenol
CID 82974570
2-(3,5-difluorophenyl)-2-phenylacetaldehyde
CID 87253871

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde?
The IUPAC name of 2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde (CID 159871712) is 2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde.
What is the SMILES notation for 2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde?
The canonical SMILES for 2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde is O=CC(c1ccccc1)c1cc(Br)ccc1O.
What is the InChIKey of 2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde?
The InChIKey is QKYPQRNSUKZXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c15-11-6-7-14(17)12(8-11)13(9-16)10-4-2-1-3-5-10/h1-9,13,17H.
What are the key properties of 2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde?
2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde has a molecular weight of 291.14 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde is sourced from PubChem (CID 159871712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).