6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

C18H18O — CID 14155579

IUPAC6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
SMILESO=Cc1ccc2c(c1)CCC(Cc1ccccc1)C2
InChIInChI=1S/C18H18O/c19-13-16-7-9-17-11-15(6-8-18(17)12-16)10-14-4-2-1-3-5-14/h1-5,7,9,12-13,15H,6,8,10-11H2
InChIKeyVMYMXOITKYRLCH-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.85
Rot. Bonds3

About 6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde (PubChem CID 14155579) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
PubChem CID14155579
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
SMILESO=Cc1ccc2c(c1)CCC(Cc1ccccc1)C2
InChIInChI=1S/C18H18O/c19-13-16-7-9-17-11-15(6-8-18(17)12-16)10-14-4-2-1-3-5-14/h1-5,7,9,12-13,15H,6,8,10-11H2
InChIKeyVMYMXOITKYRLCH-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.85
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 6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
The IUPAC name of 6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde (CID 14155579) is 6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
The canonical SMILES for 6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde is O=Cc1ccc2c(c1)CCC(Cc1ccccc1)C2.
What is the InChIKey of 6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
The InChIKey is VMYMXOITKYRLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c19-13-16-7-9-17-11-15(6-8-18(17)12-16)10-14-4-2-1-3-5-14/h1-5,7,9,12-13,15H,6,8,10-11H2.
What are the key properties of 6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde has a molecular weight of 250.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 14155579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).