4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid

C18H28O3 — CID 63402034

IUPAC4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid
SMILESCCCCC(CC)CC(Cc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C18H28O3/c1-4-6-7-14(5-2)12-16(18(19)20)13-15-8-10-17(21-3)11-9-15/h8-11,14,16H,4-7,12-13H2,1-3H3,(H,19,20)
InChIKeyGDFGCTNEFSJMQA-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.55
Rot. Bonds10

About 4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid

4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid (PubChem CID 63402034) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid.

Molecular Properties

Compound Name4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid
PubChem CID63402034
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid
SMILESCCCCC(CC)CC(Cc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C18H28O3/c1-4-6-7-14(5-2)12-16(18(19)20)13-15-8-10-17(21-3)11-9-15/h8-11,14,16H,4-7,12-13H2,1-3H3,(H,19,20)
InChIKeyGDFGCTNEFSJMQA-UHFFFAOYSA-N
XLogP4.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol
CID 66058427
2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate
CID 163607999
(2S,4R)-2-ethyl-4-[[4-(2-methylhexyl)phenoxy]methyl]hexanoic acid
CID 143473393
2-amino-4-[(4-methoxyphenyl)methyl]pentanedioic acid
CID 53396139
2-[(4-methoxyphenyl)methyl]-4-propoxybutanoic acid
CID 106454843
(2S)-2-[(4-methoxyphenyl)methyl]-3-sulfanylpropanoic acid
CID 88752303
3-[(4-methoxyphenyl)methyl]hexadecan-2-one
CID 70021103
2-butyl-4-ethyloctanoic acid;nickel
CID 87483186
2-[5-(4-methoxyphenyl)pentyl]octanoic acid
CID 139937458
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
2-[(4-methoxyphenyl)methyl]heptan-1-ol
CID 66060559
4-[(4-methoxyphenyl)methyl]hexan-3-one
CID 112507898

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid?
The IUPAC name of 4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid (CID 63402034) is 4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid.
What is the SMILES notation for 4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid?
The canonical SMILES for 4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid is CCCCC(CC)CC(Cc1ccc(OC)cc1)C(=O)O.
What is the InChIKey of 4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid?
The InChIKey is GDFGCTNEFSJMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-4-6-7-14(5-2)12-16(18(19)20)13-15-8-10-17(21-3)11-9-15/h8-11,14,16H,4-7,12-13H2,1-3H3,(H,19,20).
What are the key properties of 4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid?
4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid has a molecular weight of 292.42 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid is sourced from PubChem (CID 63402034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).