4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde

C15H14O — CID 144720228

IUPAC4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde
SMILESC=C(C)c1cccc2c(C)ccc(C=O)c12
InChIInChI=1S/C15H14O/c1-10(2)13-5-4-6-14-11(3)7-8-12(9-16)15(13)14/h4-9H,1H2,2-3H3
InChIKeyYVNBBTKWXPFGAE-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.99
Rot. Bonds2

About 4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde

4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde (PubChem CID 144720228) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde
PubChem CID144720228
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde
SMILESC=C(C)c1cccc2c(C)ccc(C=O)c12
InChIInChI=1S/C15H14O/c1-10(2)13-5-4-6-14-11(3)7-8-12(9-16)15(13)14/h4-9H,1H2,2-3H3
InChIKeyYVNBBTKWXPFGAE-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde?
The IUPAC name of 4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde (CID 144720228) is 4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde?
The canonical SMILES for 4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde is C=C(C)c1cccc2c(C)ccc(C=O)c12.
What is the InChIKey of 4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde?
The InChIKey is YVNBBTKWXPFGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-10(2)13-5-4-6-14-11(3)7-8-12(9-16)15(13)14/h4-9H,1H2,2-3H3.
What are the key properties of 4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde?
4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde has a molecular weight of 210.28 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-prop-1-en-2-ylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 144720228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).