5-(4-hydroxy-3,5-dimethylphenyl)pentanal

C13H18O2 — CID 10058811

IUPAC5-(4-hydroxy-3,5-dimethylphenyl)pentanal
SMILESCc1cc(CCCCC=O)cc(C)c1O
InChIInChI=1S/C13H18O2/c1-10-8-12(6-4-3-5-7-14)9-11(2)13(10)15/h7-9,15H,3-6H2,1-2H3
InChIKeySIRAZLWETGKVOU-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.92
Rot. Bonds5

About 5-(4-hydroxy-3,5-dimethylphenyl)pentanal

5-(4-hydroxy-3,5-dimethylphenyl)pentanal (PubChem CID 10058811) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5-(4-hydroxy-3,5-dimethylphenyl)pentanal.

Molecular Properties

Compound Name5-(4-hydroxy-3,5-dimethylphenyl)pentanal
PubChem CID10058811
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name5-(4-hydroxy-3,5-dimethylphenyl)pentanal
SMILESCc1cc(CCCCC=O)cc(C)c1O
InChIInChI=1S/C13H18O2/c1-10-8-12(6-4-3-5-7-14)9-11(2)13(10)15/h7-9,15H,3-6H2,1-2H3
InChIKeySIRAZLWETGKVOU-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624
2,6-dimethyl-4-pentylphenol
CID 22625507
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
2,6-dimethyl-4-octadecylphenol
CID 66619575
ethyl (Z)-7-(4-hydroxy-3,5-dimethylphenyl)hept-2-enoate
CID 10356098
4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol
CID 67061686
5-[4-(4-oxobutyl)phenyl]pentanal
CID 86059297
5-(4-tert-butyl-2,6-dimethylphenyl)pentanal
CID 98015684
4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol
CID 19003421
5-(2,6-dihydroxyphenyl)pentanal
CID 142935696
4-[9-(4-hydroxy-3-methyl-5-propylphenyl)nonyl]-2-methyl-6-propylphenol
CID 57052930
2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxy-5-methylphenyl)nonyl]-6-methylphenol
CID 19003409

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-3,5-dimethylphenyl)pentanal?
The IUPAC name of 5-(4-hydroxy-3,5-dimethylphenyl)pentanal (CID 10058811) is 5-(4-hydroxy-3,5-dimethylphenyl)pentanal.
What is the SMILES notation for 5-(4-hydroxy-3,5-dimethylphenyl)pentanal?
The canonical SMILES for 5-(4-hydroxy-3,5-dimethylphenyl)pentanal is Cc1cc(CCCCC=O)cc(C)c1O.
What is the InChIKey of 5-(4-hydroxy-3,5-dimethylphenyl)pentanal?
The InChIKey is SIRAZLWETGKVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-8-12(6-4-3-5-7-14)9-11(2)13(10)15/h7-9,15H,3-6H2,1-2H3.
What are the key properties of 5-(4-hydroxy-3,5-dimethylphenyl)pentanal?
5-(4-hydroxy-3,5-dimethylphenyl)pentanal has a molecular weight of 206.28 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-3,5-dimethylphenyl)pentanal is sourced from PubChem (CID 10058811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).