(3R)-3-(4-chlorophenyl)-4-methylpentanal

C12H15ClO — CID 11424371

IUPAC(3R)-3-(4-chlorophenyl)-4-methylpentanal
SMILESCC(C)[C@@H](CC=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO/c1-9(2)12(7-8-14)10-3-5-11(13)6-4-10/h3-6,8-9,12H,7H2,1-2H3/t12-/m1/s1
InChIKeyNWUACGOREFDKGV-GFCCVEGCSA-N
MW210.70 g/mol
LogP3.67
Rot. Bonds4

About (3R)-3-(4-chlorophenyl)-4-methylpentanal

(3R)-3-(4-chlorophenyl)-4-methylpentanal (PubChem CID 11424371) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-4-methylpentanal.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-4-methylpentanal
PubChem CID11424371
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name(3R)-3-(4-chlorophenyl)-4-methylpentanal
SMILESCC(C)[C@@H](CC=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO/c1-9(2)12(7-8-14)10-3-5-11(13)6-4-10/h3-6,8-9,12H,7H2,1-2H3/t12-/m1/s1
InChIKeyNWUACGOREFDKGV-GFCCVEGCSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R)-3-(4-chlorophenyl)-4-methylpentanal 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 (3R)-3-(4-chlorophenyl)-4-methylpentanal?
The IUPAC name of (3R)-3-(4-chlorophenyl)-4-methylpentanal (CID 11424371) is (3R)-3-(4-chlorophenyl)-4-methylpentanal.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-4-methylpentanal?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-4-methylpentanal is CC(C)[C@@H](CC=O)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-4-methylpentanal?
The InChIKey is NWUACGOREFDKGV-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15ClO/c1-9(2)12(7-8-14)10-3-5-11(13)6-4-10/h3-6,8-9,12H,7H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-4-methylpentanal?
(3R)-3-(4-chlorophenyl)-4-methylpentanal has a molecular weight of 210.70 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-4-methylpentanal is sourced from PubChem (CID 11424371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).