2-bromo-6-phenylnaphthalene;2-hydroxy-5-phenylbenzaldehyde

C29H21BrO2 — CID 159798770

IUPAC2-bromo-6-phenylnaphthalene;2-hydroxy-5-phenylbenzaldehyde
SMILESBrc1ccc2cc(-c3ccccc3)ccc2c1.O=Cc1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C16H11Br.C13H10O2/c17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-1-3-5-12;14-9-12-8-11(6-7-13(12)15)10-4-2-1-3-5-10/h1-11H;1-9,15H
InChIKeyNJMYRIHBUJQAMW-UHFFFAOYSA-N
MW481.39 g/mol
LogP8.14
Rot. Bonds3

About 2-bromo-6-phenylnaphthalene;2-hydroxy-5-phenylbenzaldehyde

2-bromo-6-phenylnaphthalene;2-hydroxy-5-phenylbenzaldehyde (PubChem CID 159798770) has the molecular formula C29H21BrO2 and a molecular weight of 481.39 g/mol. Its IUPAC name is 2-bromo-6-phenylnaphthalene;2-hydroxy-5-phenylbenzaldehyde.

Molecular Properties

Compound Name2-bromo-6-phenylnaphthalene;2-hydroxy-5-phenylbenzaldehyde
PubChem CID159798770
Molecular FormulaC29H21BrO2
Molecular Weight481.39 g/mol
Exact Mass480.07
IUPAC Name2-bromo-6-phenylnaphthalene;2-hydroxy-5-phenylbenzaldehyde
SMILESBrc1ccc2cc(-c3ccccc3)ccc2c1.O=Cc1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C16H11Br.C13H10O2/c17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-1-3-5-12;14-9-12-8-11(6-7-13(12)15)10-4-2-1-3-5-10/h1-11H;1-9,15H
InChIKeyNJMYRIHBUJQAMW-UHFFFAOYSA-N
XLogP8.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.39
LogP ≤ 58.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-phenylnaphthalene;2-hydroxy-5-phenylbenzaldehyde?
The IUPAC name of 2-bromo-6-phenylnaphthalene;2-hydroxy-5-phenylbenzaldehyde (CID 159798770) is 2-bromo-6-phenylnaphthalene;2-hydroxy-5-phenylbenzaldehyde.
What is the SMILES notation for 2-bromo-6-phenylnaphthalene;2-hydroxy-5-phenylbenzaldehyde?
The canonical SMILES for 2-bromo-6-phenylnaphthalene;2-hydroxy-5-phenylbenzaldehyde is Brc1ccc2cc(-c3ccccc3)ccc2c1.O=Cc1cc(-c2ccccc2)ccc1O.
What is the InChIKey of 2-bromo-6-phenylnaphthalene;2-hydroxy-5-phenylbenzaldehyde?
The InChIKey is NJMYRIHBUJQAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br.C13H10O2/c17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-1-3-5-12;14-9-12-8-11(6-7-13(12)15)10-4-2-1-3-5-10/h1-11H;1-9,15H.
What are the key properties of 2-bromo-6-phenylnaphthalene;2-hydroxy-5-phenylbenzaldehyde?
2-bromo-6-phenylnaphthalene;2-hydroxy-5-phenylbenzaldehyde has a molecular weight of 481.39 g/mol, XLogP of 8.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-phenylnaphthalene;2-hydroxy-5-phenylbenzaldehyde is sourced from PubChem (CID 159798770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).