2-(4-ethoxyphenoxy)terephthalic acid

C16H14O6 — CID 19865560

IUPAC2-(4-ethoxyphenoxy)terephthalic acid
SMILESCCOc1ccc(Oc2cc(C(=O)O)ccc2C(=O)O)cc1
InChIInChI=1S/C16H14O6/c1-2-21-11-4-6-12(7-5-11)22-14-9-10(15(17)18)3-8-13(14)16(19)20/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyRPSVSVVEBCQMDN-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.27
Rot. Bonds6

About 2-(4-ethoxyphenoxy)terephthalic acid

2-(4-ethoxyphenoxy)terephthalic acid (PubChem CID 19865560) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)terephthalic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)terephthalic acid
PubChem CID19865560
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name2-(4-ethoxyphenoxy)terephthalic acid
SMILESCCOc1ccc(Oc2cc(C(=O)O)ccc2C(=O)O)cc1
InChIInChI=1S/C16H14O6/c1-2-21-11-4-6-12(7-5-11)22-14-9-10(15(17)18)3-8-13(14)16(19)20/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyRPSVSVVEBCQMDN-UHFFFAOYSA-N
XLogP3.27
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-yloxyphenoxy)terephthalic acid
CID 19865536
2-pentoxyterephthalic acid
CID 86182031
2-octadecoxyterephthalic acid
CID 142668937
2-(3-ethoxyphenoxy)-4-methylbenzoic acid
CID 62702429
4-benzoyl-3-(4-carboxyphenoxy)benzoic acid
CID 70204414
4-bromo-2-(3-ethoxyphenoxy)benzoic acid
CID 62335777
4-[(4-ethoxyphenyl)methyl]benzoic acid
CID 116927188
4-(4,6-dicarboxy-2-ethoxynaphthalen-1-yl)-3-ethoxynaphthalene-1,7-dicarboxylic acid
CID 102048418
carbonic acid;2-(2,5-dicarboxyphenyl)peroxyterephthalic acid
CID 88603711
2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid
CID 20992517
2-(2-methylsulfanylethoxy)terephthalic acid
CID 175240037
4-amino-3-(4-ethoxyphenyl)benzoic acid
CID 82299861

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)terephthalic acid?
The IUPAC name of 2-(4-ethoxyphenoxy)terephthalic acid (CID 19865560) is 2-(4-ethoxyphenoxy)terephthalic acid.
What is the SMILES notation for 2-(4-ethoxyphenoxy)terephthalic acid?
The canonical SMILES for 2-(4-ethoxyphenoxy)terephthalic acid is CCOc1ccc(Oc2cc(C(=O)O)ccc2C(=O)O)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)terephthalic acid?
The InChIKey is RPSVSVVEBCQMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c1-2-21-11-4-6-12(7-5-11)22-14-9-10(15(17)18)3-8-13(14)16(19)20/h3-9H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(4-ethoxyphenoxy)terephthalic acid?
2-(4-ethoxyphenoxy)terephthalic acid has a molecular weight of 302.28 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)terephthalic acid is sourced from PubChem (CID 19865560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).