ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate

C18H26O5 — CID 24727597

IUPACethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate
SMILESCCOC(=O)CCCCCCC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C18H26O5/c1-4-23-18(20)10-8-6-5-7-9-16(19)15-12-11-14(21-2)13-17(15)22-3/h11-13H,4-10H2,1-3H3
InChIKeyOVOTVDXMITXBGO-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.79
Rot. Bonds11

About ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate

ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate (PubChem CID 24727597) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate.

Molecular Properties

Compound Nameethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate
PubChem CID24727597
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Nameethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate
SMILESCCOC(=O)CCCCCCC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C18H26O5/c1-4-23-18(20)10-8-6-5-7-9-16(19)15-12-11-14(21-2)13-17(15)22-3/h11-13H,4-10H2,1-3H3
InChIKeyOVOTVDXMITXBGO-UHFFFAOYSA-N
XLogP3.79
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate
CID 47437682
3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one
CID 117319761
4-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 56984225
ethyl 2-(4-methoxy-2-octanoylphenyl)acetate
CID 153405787
ethyl 5-(4-methoxy-2,3-dimethylphenyl)-5-oxopentanoate;methanamine
CID 143136874
ethyl 4-(2-bromo-4-methoxyphenyl)-4-oxobutanoate
CID 57424263
ethyl 7-oxo-7-(3,4,5-trimethoxyphenyl)heptanoate
CID 24727690
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
ethyl 4-chloro-4-oxobutanoate;ethyl 4-(2-methoxy-4-methylphenyl)-4-oxobutanoate;1-methoxy-3-methylbenzene
CID 159454549
ethyl 3-(2,4-dimethoxyanilino)propanoate
CID 23052898
ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate
CID 66322325

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate?
The IUPAC name of ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate (CID 24727597) is ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate.
What is the SMILES notation for ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate?
The canonical SMILES for ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate is CCOC(=O)CCCCCCC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate?
The InChIKey is OVOTVDXMITXBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5/c1-4-23-18(20)10-8-6-5-7-9-16(19)15-12-11-14(21-2)13-17(15)22-3/h11-13H,4-10H2,1-3H3.
What are the key properties of ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate?
ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate has a molecular weight of 322.40 g/mol, XLogP of 3.79, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate is sourced from PubChem (CID 24727597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).