5-(4-methoxy-2,3-dimethylphenyl)pentanal

C14H20O2 — CID 98014243

IUPAC5-(4-methoxy-2,3-dimethylphenyl)pentanal
SMILESCOc1ccc(CCCCC=O)c(C)c1C
InChIInChI=1S/C14H20O2/c1-11-12(2)14(16-3)9-8-13(11)7-5-4-6-10-15/h8-10H,4-7H2,1-3H3
InChIKeyFJYQIIQQCHQZLQ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.22
Rot. Bonds6

About 5-(4-methoxy-2,3-dimethylphenyl)pentanal

5-(4-methoxy-2,3-dimethylphenyl)pentanal (PubChem CID 98014243) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5-(4-methoxy-2,3-dimethylphenyl)pentanal.

Molecular Properties

Compound Name5-(4-methoxy-2,3-dimethylphenyl)pentanal
PubChem CID98014243
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name5-(4-methoxy-2,3-dimethylphenyl)pentanal
SMILESCOc1ccc(CCCCC=O)c(C)c1C
InChIInChI=1S/C14H20O2/c1-11-12(2)14(16-3)9-8-13(11)7-5-4-6-10-15/h8-10H,4-7H2,1-3H3
InChIKeyFJYQIIQQCHQZLQ-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
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

3-(3,4-dimethoxy-2-methylphenyl)propanal
CID 117297630
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene
CID 83939746
2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]ethanethiol
CID 115224240
4-hydroxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide
CID 115163104
4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol
CID 82473076
3-(2,3-dimethoxy-6-methylphenyl)propanal
CID 117297640
3-(3,4-dimethoxy-2-methylsulfanylphenyl)propanal
CID 117353644
4-(2-fluoro-3-methoxyphenyl)butanal
CID 104795063
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate
CID 15428438
5-(4-fluoro-3-methoxyphenyl)pentanal
CID 147282830

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2,3-dimethylphenyl)pentanal?
The IUPAC name of 5-(4-methoxy-2,3-dimethylphenyl)pentanal (CID 98014243) is 5-(4-methoxy-2,3-dimethylphenyl)pentanal.
What is the SMILES notation for 5-(4-methoxy-2,3-dimethylphenyl)pentanal?
The canonical SMILES for 5-(4-methoxy-2,3-dimethylphenyl)pentanal is COc1ccc(CCCCC=O)c(C)c1C.
What is the InChIKey of 5-(4-methoxy-2,3-dimethylphenyl)pentanal?
The InChIKey is FJYQIIQQCHQZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11-12(2)14(16-3)9-8-13(11)7-5-4-6-10-15/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-(4-methoxy-2,3-dimethylphenyl)pentanal?
5-(4-methoxy-2,3-dimethylphenyl)pentanal has a molecular weight of 220.31 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2,3-dimethylphenyl)pentanal is sourced from PubChem (CID 98014243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).