(4R)-4-(2-methylphenyl)hexanal

C13H18O — CID 102442403

IUPAC(4R)-4-(2-methylphenyl)hexanal
SMILESCC[C@H](CCC=O)c1ccccc1C
InChIInChI=1S/C13H18O/c1-3-12(8-6-10-14)13-9-5-4-7-11(13)2/h4-5,7,9-10,12H,3,6,8H2,1-2H3/t12-/m1/s1
InChIKeyHJQYGRLQGDTUPN-GFCCVEGCSA-N
MW190.29 g/mol
LogP3.47
Rot. Bonds5

About (4R)-4-(2-methylphenyl)hexanal

(4R)-4-(2-methylphenyl)hexanal (PubChem CID 102442403) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (4R)-4-(2-methylphenyl)hexanal.

Molecular Properties

Compound Name(4R)-4-(2-methylphenyl)hexanal
PubChem CID102442403
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(4R)-4-(2-methylphenyl)hexanal
SMILESCC[C@H](CCC=O)c1ccccc1C
InChIInChI=1S/C13H18O/c1-3-12(8-6-10-14)13-9-5-4-7-11(13)2/h4-5,7,9-10,12H,3,6,8H2,1-2H3/t12-/m1/s1
InChIKeyHJQYGRLQGDTUPN-GFCCVEGCSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4R)-4-(2-methylphenyl)hexanal with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-methylphenyl)pentanal
CID 88619188
1-decan-3-yl-2-methylbenzene
CID 152506171
5-phenylheptanal
CID 22053894
4-(4-aminophenyl)hexanal
CID 54258952
1-ethyl-2-[1-(2-methylphenyl)propyl]benzene
CID 18968346
1-(2-methylphenyl)-2-methylsulfonylbutan-1-ol
CID 102550150
1-methyl-2-(7-methylnonan-4-yl)benzene
CID 143620943
N-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide
CID 89171234
2-(2-methylphenyl)hex-5-enal
CID 154302284
N-[2-(2-methylphenyl)butyl]cyclopropanamine
CID 79421511
N,4-diethyl-2-(2-methylphenyl)hexan-1-amine
CID 82929523
N-ethyl-2-(2-methylphenyl)hexan-1-amine
CID 79421796

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methylphenyl)hexanal?
The IUPAC name of (4R)-4-(2-methylphenyl)hexanal (CID 102442403) is (4R)-4-(2-methylphenyl)hexanal.
What is the SMILES notation for (4R)-4-(2-methylphenyl)hexanal?
The canonical SMILES for (4R)-4-(2-methylphenyl)hexanal is CC[C@H](CCC=O)c1ccccc1C.
What is the InChIKey of (4R)-4-(2-methylphenyl)hexanal?
The InChIKey is HJQYGRLQGDTUPN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18O/c1-3-12(8-6-10-14)13-9-5-4-7-11(13)2/h4-5,7,9-10,12H,3,6,8H2,1-2H3/t12-/m1/s1.
What are the key properties of (4R)-4-(2-methylphenyl)hexanal?
(4R)-4-(2-methylphenyl)hexanal has a molecular weight of 190.29 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methylphenyl)hexanal is sourced from PubChem (CID 102442403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).