2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid

C14H20O5 — CID 65339096

IUPAC2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid
SMILESCCCOCCOCc1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C14H20O5/c1-3-6-18-7-8-19-10-11-4-5-13(17-2)12(9-11)14(15)16/h4-5,9H,3,6-8,10H2,1-2H3,(H,15,16)
InChIKeySHFCPVNMIHBNCF-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.34
Rot. Bonds9

About 2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid

2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid (PubChem CID 65339096) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid
PubChem CID65339096
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid
SMILESCCCOCCOCc1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C14H20O5/c1-3-6-18-7-8-19-10-11-4-5-13(17-2)12(9-11)14(15)16/h4-5,9H,3,6-8,10H2,1-2H3,(H,15,16)
InChIKeySHFCPVNMIHBNCF-UHFFFAOYSA-N
XLogP2.34
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-(2-methylpentoxymethyl)benzoic acid
CID 103285867
5-ethyl-2-methoxybenzoic acid
CID 20721149
2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid
CID 106794181
2-fluoro-4-(propoxymethyl)benzoic acid
CID 18913749
2-methoxy-5-propoxybenzoic acid
CID 82265622
2-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]benzoic acid
CID 106794153
5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid
CID 81067675
2-methoxy-5-(methylsulfonylmethyl)benzoic acid
CID 18464653
2-methoxy-5-(1,1,1-trifluoropropan-2-yloxymethyl)benzoic acid
CID 66277064
2-methoxy-5-(octoxymethyl)benzenecarbothioamide
CID 65344193
5-[(4-bromo-2-methylphenoxy)methyl]-2-methoxybenzoic acid
CID 65339716
5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid
CID 65339281

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid?
The IUPAC name of 2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid (CID 65339096) is 2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid.
What is the SMILES notation for 2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid?
The canonical SMILES for 2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid is CCCOCCOCc1ccc(OC)c(C(=O)O)c1.
What is the InChIKey of 2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid?
The InChIKey is SHFCPVNMIHBNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-3-6-18-7-8-19-10-11-4-5-13(17-2)12(9-11)14(15)16/h4-5,9H,3,6-8,10H2,1-2H3,(H,15,16).
What are the key properties of 2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid?
2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid has a molecular weight of 268.31 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid is sourced from PubChem (CID 65339096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).