5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid

C16H22O5 — CID 11022762

IUPAC5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid
SMILESCCCC(Cc1ccc(OC)c(C(=O)O)c1)C(=O)OCC
InChIInChI=1S/C16H22O5/c1-4-6-12(16(19)21-5-2)9-11-7-8-14(20-3)13(10-11)15(17)18/h7-8,10,12H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyWNZYXMREIMHUMB-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.92
Rot. Bonds8

About 5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid

5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid (PubChem CID 11022762) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid
PubChem CID11022762
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid
SMILESCCCC(Cc1ccc(OC)c(C(=O)O)c1)C(=O)OCC
InChIInChI=1S/C16H22O5/c1-4-6-12(16(19)21-5-2)9-11-7-8-14(20-3)13(10-11)15(17)18/h7-8,10,12H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyWNZYXMREIMHUMB-UHFFFAOYSA-N
XLogP2.92
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-ethoxy-2-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-methoxybenzoic acid
CID 22493890
ethyl 2-[[3-(3-ethoxy-3-oxopropanoyl)-4-methoxyphenyl]methyl]butanoate
CID 11727819
2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid
CID 142143859
5-ethyl-2-methoxybenzoic acid
CID 20721149
2-methoxy-5-(2-methylpentoxymethyl)benzoic acid
CID 103285867
ethyl 2-[[3-bromo-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanoate
CID 140561613
2-(1-ethoxy-1-oxopentan-2-yl)oxy-5-methoxybenzoic acid
CID 83040391
ethyl 2-(aminomethyl)-3-[3-(difluoromethoxy)-4-methoxyphenyl]propanoate
CID 43148359
2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid
CID 65339096
5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid
CID 81067675
ethyl 2-[[4-methoxy-3-[(3-phenoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoate
CID 10874221
(2S)-2-[[3-[[4-(4-hydroxyphenoxy)phenyl]methylcarbamoyl]-4-methoxyphenyl]methyl]pentanoic acid
CID 139985268

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid?
The IUPAC name of 5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid (CID 11022762) is 5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid.
What is the SMILES notation for 5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid?
The canonical SMILES for 5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid is CCCC(Cc1ccc(OC)c(C(=O)O)c1)C(=O)OCC.
What is the InChIKey of 5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid?
The InChIKey is WNZYXMREIMHUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-4-6-12(16(19)21-5-2)9-11-7-8-14(20-3)13(10-11)15(17)18/h7-8,10,12H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of 5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid?
5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid is sourced from PubChem (CID 11022762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).