8-(3,5-dimethoxyphenyl)octanoic acid

C16H24O4 — CID 14427818

IUPAC8-(3,5-dimethoxyphenyl)octanoic acid
SMILESCOc1cc(CCCCCCCC(=O)O)cc(OC)c1
InChIInChI=1S/C16H24O4/c1-19-14-10-13(11-15(12-14)20-2)8-6-4-3-5-7-9-16(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyXEMFAFFORCPTNU-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.67
Rot. Bonds10

About 8-(3,5-dimethoxyphenyl)octanoic acid

8-(3,5-dimethoxyphenyl)octanoic acid (PubChem CID 14427818) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 8-(3,5-dimethoxyphenyl)octanoic acid.

Molecular Properties

Compound Name8-(3,5-dimethoxyphenyl)octanoic acid
PubChem CID14427818
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name8-(3,5-dimethoxyphenyl)octanoic acid
SMILESCOc1cc(CCCCCCCC(=O)O)cc(OC)c1
InChIInChI=1S/C16H24O4/c1-19-14-10-13(11-15(12-14)20-2)8-6-4-3-5-7-9-16(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyXEMFAFFORCPTNU-UHFFFAOYSA-N
XLogP3.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-(3,5-dimethoxyphenyl)pentanoate
CID 66889380
4-(3,5-dimethoxyphenoxy)butanoic acid
CID 43351586
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
8-(4-hydroxy-3-methoxyphenyl)octanoic acid
CID 25005890
methyl 5-(3-fluoro-5-methoxyphenyl)pentanoate
CID 169128266
9-(3,4,5-trihydroxyphenyl)nonanoic acid
CID 162392807
17-(3,4,5-trihydroxyphenyl)heptadecanoic acid
CID 162392819
(3,5-dimethoxyphenyl)methanamine;5,5-dimethylhexanoic acid
CID 167496524
6-(3-bromo-4-methoxyphenyl)hexanoic acid
CID 43446926
5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid
CID 19816113
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
1-butyl-3,5-dimethoxybenzene
CID 524875

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethoxyphenyl)octanoic acid?
The IUPAC name of 8-(3,5-dimethoxyphenyl)octanoic acid (CID 14427818) is 8-(3,5-dimethoxyphenyl)octanoic acid.
What is the SMILES notation for 8-(3,5-dimethoxyphenyl)octanoic acid?
The canonical SMILES for 8-(3,5-dimethoxyphenyl)octanoic acid is COc1cc(CCCCCCCC(=O)O)cc(OC)c1.
What is the InChIKey of 8-(3,5-dimethoxyphenyl)octanoic acid?
The InChIKey is XEMFAFFORCPTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-19-14-10-13(11-15(12-14)20-2)8-6-4-3-5-7-9-16(17)18/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 8-(3,5-dimethoxyphenyl)octanoic acid?
8-(3,5-dimethoxyphenyl)octanoic acid has a molecular weight of 280.36 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethoxyphenyl)octanoic acid is sourced from PubChem (CID 14427818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).