2-(2,4-dimethoxyphenyl)-3-ethyl-2-methyloctanoic acid

C19H30O4 — CID 175254422

IUPAC2-(2,4-dimethoxyphenyl)-3-ethyl-2-methyloctanoic acid
SMILESCCCCCC(CC)C(C)(C(=O)O)c1ccc(OC)cc1OC
InChIInChI=1S/C19H30O4/c1-6-8-9-10-14(7-2)19(3,18(20)21)16-12-11-15(22-4)13-17(16)23-5/h11-14H,6-10H2,1-5H3,(H,20,21)
InChIKeyQPOXGSPEPURGOQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.65
Rot. Bonds10

About 2-(2,4-dimethoxyphenyl)-3-ethyl-2-methyloctanoic acid

2-(2,4-dimethoxyphenyl)-3-ethyl-2-methyloctanoic acid (PubChem CID 175254422) has the molecular formula C19H30O4 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-3-ethyl-2-methyloctanoic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-3-ethyl-2-methyloctanoic acid
PubChem CID175254422
Molecular FormulaC19H30O4
Molecular Weight322.45 g/mol
Exact Mass322.21
IUPAC Name2-(2,4-dimethoxyphenyl)-3-ethyl-2-methyloctanoic acid
SMILESCCCCCC(CC)C(C)(C(=O)O)c1ccc(OC)cc1OC
InChIInChI=1S/C19H30O4/c1-6-8-9-10-14(7-2)19(3,18(20)21)16-12-11-15(22-4)13-17(16)23-5/h11-14H,6-10H2,1-5H3,(H,20,21)
InChIKeyQPOXGSPEPURGOQ-UHFFFAOYSA-N
XLogP4.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.65
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

2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid
CID 83042755
2-[5-(4-methoxyphenyl)pentyl]octanoic acid
CID 139937458
(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
2-(2,4-dimethoxyphenyl)-2-hydroxy-2-phenylacetic acid
CID 139609897
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
2,4-dimethoxy-N-pentylaniline
CID 28570496
(2,4-dimethoxyphenyl) pentanoate
CID 91361677
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
2-(2,4-dimethoxyphenyl)-2-hydroxypropanamide
CID 62215379
1-(2-chloro-4-methoxyphenyl)decan-1-ol
CID 65427527
(4-methoxy-2-nonanoyloxyphenyl) nonanoate
CID 140675759
1-(2,5-dimethoxybenzoyl)peroxyhexyl 2,5-dimethoxybenzenecarboperoxoate
CID 173266166

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-3-ethyl-2-methyloctanoic acid?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-3-ethyl-2-methyloctanoic acid (CID 175254422) is 2-(2,4-dimethoxyphenyl)-3-ethyl-2-methyloctanoic acid.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-3-ethyl-2-methyloctanoic acid?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-3-ethyl-2-methyloctanoic acid is CCCCCC(CC)C(C)(C(=O)O)c1ccc(OC)cc1OC.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-3-ethyl-2-methyloctanoic acid?
The InChIKey is QPOXGSPEPURGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4/c1-6-8-9-10-14(7-2)19(3,18(20)21)16-12-11-15(22-4)13-17(16)23-5/h11-14H,6-10H2,1-5H3,(H,20,21).
What are the key properties of 2-(2,4-dimethoxyphenyl)-3-ethyl-2-methyloctanoic acid?
2-(2,4-dimethoxyphenyl)-3-ethyl-2-methyloctanoic acid has a molecular weight of 322.45 g/mol, XLogP of 4.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-3-ethyl-2-methyloctanoic acid is sourced from PubChem (CID 175254422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).