7-bromo-2-methyl-3-phenylnaphthalene-1-carbaldehyde

C18H13BrO — CID 130405596

IUPAC7-bromo-2-methyl-3-phenylnaphthalene-1-carbaldehyde
SMILESCc1c(-c2ccccc2)cc2ccc(Br)cc2c1C=O
InChIInChI=1S/C18H13BrO/c1-12-16(13-5-3-2-4-6-13)9-14-7-8-15(19)10-17(14)18(12)11-20/h2-11H,1H3
InChIKeyYFGWUPJFFXOSGL-UHFFFAOYSA-N
MW325.20 g/mol
LogP5.39
Rot. Bonds2

About 7-bromo-2-methyl-3-phenylnaphthalene-1-carbaldehyde

7-bromo-2-methyl-3-phenylnaphthalene-1-carbaldehyde (PubChem CID 130405596) has the molecular formula C18H13BrO and a molecular weight of 325.20 g/mol. Its IUPAC name is 7-bromo-2-methyl-3-phenylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name7-bromo-2-methyl-3-phenylnaphthalene-1-carbaldehyde
PubChem CID130405596
Molecular FormulaC18H13BrO
Molecular Weight325.20 g/mol
Exact Mass324.01
IUPAC Name7-bromo-2-methyl-3-phenylnaphthalene-1-carbaldehyde
SMILESCc1c(-c2ccccc2)cc2ccc(Br)cc2c1C=O
InChIInChI=1S/C18H13BrO/c1-12-16(13-5-3-2-4-6-13)9-14-7-8-15(19)10-17(14)18(12)11-20/h2-11H,1H3
InChIKeyYFGWUPJFFXOSGL-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 ≤ 500325.20
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 7-bromo-2-methyl-3-phenylnaphthalene-1-carbaldehyde?
The IUPAC name of 7-bromo-2-methyl-3-phenylnaphthalene-1-carbaldehyde (CID 130405596) is 7-bromo-2-methyl-3-phenylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 7-bromo-2-methyl-3-phenylnaphthalene-1-carbaldehyde?
The canonical SMILES for 7-bromo-2-methyl-3-phenylnaphthalene-1-carbaldehyde is Cc1c(-c2ccccc2)cc2ccc(Br)cc2c1C=O.
What is the InChIKey of 7-bromo-2-methyl-3-phenylnaphthalene-1-carbaldehyde?
The InChIKey is YFGWUPJFFXOSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrO/c1-12-16(13-5-3-2-4-6-13)9-14-7-8-15(19)10-17(14)18(12)11-20/h2-11H,1H3.
What are the key properties of 7-bromo-2-methyl-3-phenylnaphthalene-1-carbaldehyde?
7-bromo-2-methyl-3-phenylnaphthalene-1-carbaldehyde has a molecular weight of 325.20 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 7-bromo-2-methyl-3-phenylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 130405596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).