2-(4-bromophenyl)-4-methylnaphthalene-1-carbaldehyde

C18H13BrO — CID 175304162

IUPAC2-(4-bromophenyl)-4-methylnaphthalene-1-carbaldehyde
SMILESCc1cc(-c2ccc(Br)cc2)c(C=O)c2ccccc12
InChIInChI=1S/C18H13BrO/c1-12-10-17(13-6-8-14(19)9-7-13)18(11-20)16-5-3-2-4-15(12)16/h2-11H,1H3
InChIKeyUEWDZCMJXMWALN-UHFFFAOYSA-N
MW325.21 g/mol
LogP5.39
Rot. Bonds2

About 2-(4-bromophenyl)-4-methylnaphthalene-1-carbaldehyde

2-(4-bromophenyl)-4-methylnaphthalene-1-carbaldehyde (PubChem CID 175304162) has the molecular formula C18H13BrO and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-methylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-methylnaphthalene-1-carbaldehyde
PubChem CID175304162
Molecular FormulaC18H13BrO
Molecular Weight325.21 g/mol
Exact Mass324.01
IUPAC Name2-(4-bromophenyl)-4-methylnaphthalene-1-carbaldehyde
SMILESCc1cc(-c2ccc(Br)cc2)c(C=O)c2ccccc12
InChIInChI=1S/C18H13BrO/c1-12-10-17(13-6-8-14(19)9-7-13)18(11-20)16-5-3-2-4-15(12)16/h2-11H,1H3
InChIKeyUEWDZCMJXMWALN-UHFFFAOYSA-N
XLogP5.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.21
LogP ≤ 55.39
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-(4-bromophenyl)-4-methylnaphthalene-1-carbaldehyde?
The IUPAC name of 2-(4-bromophenyl)-4-methylnaphthalene-1-carbaldehyde (CID 175304162) is 2-(4-bromophenyl)-4-methylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(4-bromophenyl)-4-methylnaphthalene-1-carbaldehyde?
The canonical SMILES for 2-(4-bromophenyl)-4-methylnaphthalene-1-carbaldehyde is Cc1cc(-c2ccc(Br)cc2)c(C=O)c2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-4-methylnaphthalene-1-carbaldehyde?
The InChIKey is UEWDZCMJXMWALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrO/c1-12-10-17(13-6-8-14(19)9-7-13)18(11-20)16-5-3-2-4-15(12)16/h2-11H,1H3.
What are the key properties of 2-(4-bromophenyl)-4-methylnaphthalene-1-carbaldehyde?
2-(4-bromophenyl)-4-methylnaphthalene-1-carbaldehyde has a molecular weight of 325.21 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-methylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 175304162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).