3-ethoxy-2-(2-phenylethoxy)benzoic acid

C17H18O4 — CID 43366597

IUPAC3-ethoxy-2-(2-phenylethoxy)benzoic acid
SMILESCCOc1cccc(C(=O)O)c1OCCc1ccccc1
InChIInChI=1S/C17H18O4/c1-2-20-15-10-6-9-14(17(18)19)16(15)21-12-11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,18,19)
InChIKeyUVZLIPDSVMITLW-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.40
Rot. Bonds7

About 3-ethoxy-2-(2-phenylethoxy)benzoic acid

3-ethoxy-2-(2-phenylethoxy)benzoic acid (PubChem CID 43366597) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-ethoxy-2-(2-phenylethoxy)benzoic acid.

Molecular Properties

Compound Name3-ethoxy-2-(2-phenylethoxy)benzoic acid
PubChem CID43366597
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3-ethoxy-2-(2-phenylethoxy)benzoic acid
SMILESCCOc1cccc(C(=O)O)c1OCCc1ccccc1
InChIInChI=1S/C17H18O4/c1-2-20-15-10-6-9-14(17(18)19)16(15)21-12-11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,18,19)
InChIKeyUVZLIPDSVMITLW-UHFFFAOYSA-N
XLogP3.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylbutoxy)-3-ethoxybenzoic acid
CID 61481125
3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid
CID 115942755
3-ethoxy-2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 61484674
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
CID 60884976
2-ethoxybenzoic acid;zinc
CID 172723273
2-(2-carboxy-2-methylpropoxy)-3-ethoxybenzoic acid
CID 79624013
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
3-ethoxy-2-hydroxybenzoic acid
CID 13026922
5-bromo-3-methoxy-2-(2-phenylethoxy)benzoic acid
CID 20986772
3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one
CID 117482319
2,3-bis(2-ethoxy-2-oxoethoxy)benzoic acid
CID 18471117
1-(2,3-dibutoxyphenyl)-2-phenylethanone
CID 70572932

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-(2-phenylethoxy)benzoic acid?
The IUPAC name of 3-ethoxy-2-(2-phenylethoxy)benzoic acid (CID 43366597) is 3-ethoxy-2-(2-phenylethoxy)benzoic acid.
What is the SMILES notation for 3-ethoxy-2-(2-phenylethoxy)benzoic acid?
The canonical SMILES for 3-ethoxy-2-(2-phenylethoxy)benzoic acid is CCOc1cccc(C(=O)O)c1OCCc1ccccc1.
What is the InChIKey of 3-ethoxy-2-(2-phenylethoxy)benzoic acid?
The InChIKey is UVZLIPDSVMITLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-2-20-15-10-6-9-14(17(18)19)16(15)21-12-11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,18,19).
What are the key properties of 3-ethoxy-2-(2-phenylethoxy)benzoic acid?
3-ethoxy-2-(2-phenylethoxy)benzoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-(2-phenylethoxy)benzoic acid is sourced from PubChem (CID 43366597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).