3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid

C17H18O5 — CID 21250893

IUPAC3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
SMILESCOCCOc1cc(OCc2ccccc2)cc(C(=O)O)c1
InChIInChI=1S/C17H18O5/c1-20-7-8-21-15-9-14(17(18)19)10-16(11-15)22-12-13-5-3-2-4-6-13/h2-6,9-11H,7-8,12H2,1H3,(H,18,19)
InChIKeyGDTWVHRDSWFIES-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.99
Rot. Bonds8

About 3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid

3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid (PubChem CID 21250893) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
PubChem CID21250893
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
SMILESCOCCOc1cc(OCc2ccccc2)cc(C(=O)O)c1
InChIInChI=1S/C17H18O5/c1-20-7-8-21-15-9-14(17(18)19)10-16(11-15)22-12-13-5-3-2-4-6-13/h2-6,9-11H,7-8,12H2,1H3,(H,18,19)
InChIKeyGDTWVHRDSWFIES-UHFFFAOYSA-N
XLogP2.99
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-methoxyethoxy)-5-phenylmethoxybenzoic 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

3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid
CID 67484587
ethane;3-fluoro-5-phenylmethoxybenzoic acid
CID 144722944
methyl 3,5-bis[3-(4-phenylmethoxyphenoxy)propoxy]benzoate
CID 54529309
3-fluoro-5-phenylmethoxybenzoic acid
CID 18971714
3,5-bis(3-phenylpropoxy)benzoic acid
CID 18951534
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
3,5-bis(phenylmethoxy)benzoate
CID 6986896
benzyl 3,5-bis(phenylmethoxy)benzoate;3,5-dihydroxybenzoic acid
CID 158844750
1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene
CID 59224132
3,5-bis(naphthalen-2-ylmethoxy)benzoic acid
CID 170676127
4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid
CID 43238029
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid?
The IUPAC name of 3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid (CID 21250893) is 3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid.
What is the SMILES notation for 3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid?
The canonical SMILES for 3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid is COCCOc1cc(OCc2ccccc2)cc(C(=O)O)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid?
The InChIKey is GDTWVHRDSWFIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-20-7-8-21-15-9-14(17(18)19)10-16(11-15)22-12-13-5-3-2-4-6-13/h2-6,9-11H,7-8,12H2,1H3,(H,18,19).
What are the key properties of 3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid?
3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid is sourced from PubChem (CID 21250893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).