2-(2-bromophenyl)naphthalene-1-carbaldehyde

C17H11BrO — CID 102449578

IUPAC2-(2-bromophenyl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(-c2ccccc2Br)ccc2ccccc12
InChIInChI=1S/C17H11BrO/c18-17-8-4-3-7-15(17)14-10-9-12-5-1-2-6-13(12)16(14)11-19/h1-11H
InChIKeyWHRRYMYJMMDNSM-UHFFFAOYSA-N
MW311.18 g/mol
LogP5.08
Rot. Bonds2

About 2-(2-bromophenyl)naphthalene-1-carbaldehyde

2-(2-bromophenyl)naphthalene-1-carbaldehyde (PubChem CID 102449578) has the molecular formula C17H11BrO and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-(2-bromophenyl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(2-bromophenyl)naphthalene-1-carbaldehyde
PubChem CID102449578
Molecular FormulaC17H11BrO
Molecular Weight311.18 g/mol
Exact Mass310.00
IUPAC Name2-(2-bromophenyl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(-c2ccccc2Br)ccc2ccccc12
InChIInChI=1S/C17H11BrO/c18-17-8-4-3-7-15(17)14-10-9-12-5-1-2-6-13(12)16(14)11-19/h1-11H
InChIKeyWHRRYMYJMMDNSM-UHFFFAOYSA-N
XLogP5.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.18
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-bromophenyl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(2-bromophenyl)naphthalene-1-carbaldehyde (CID 102449578) is 2-(2-bromophenyl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(2-bromophenyl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(2-bromophenyl)naphthalene-1-carbaldehyde is O=Cc1c(-c2ccccc2Br)ccc2ccccc12.
What is the InChIKey of 2-(2-bromophenyl)naphthalene-1-carbaldehyde?
The InChIKey is WHRRYMYJMMDNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrO/c18-17-8-4-3-7-15(17)14-10-9-12-5-1-2-6-13(12)16(14)11-19/h1-11H.
What are the key properties of 2-(2-bromophenyl)naphthalene-1-carbaldehyde?
2-(2-bromophenyl)naphthalene-1-carbaldehyde has a molecular weight of 311.18 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 102449578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).