4-(2-ethoxyethoxy)-2-phenylbenzoic acid

C17H18O4 — CID 70387359

IUPAC4-(2-ethoxyethoxy)-2-phenylbenzoic acid
SMILESCCOCCOc1ccc(C(=O)O)c(-c2ccccc2)c1
InChIInChI=1S/C17H18O4/c1-2-20-10-11-21-14-8-9-15(17(18)19)16(12-14)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,18,19)
InChIKeyLBFINFBNAITFHR-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.47
Rot. Bonds7

About 4-(2-ethoxyethoxy)-2-phenylbenzoic acid

4-(2-ethoxyethoxy)-2-phenylbenzoic acid (PubChem CID 70387359) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-2-phenylbenzoic acid.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-2-phenylbenzoic acid
PubChem CID70387359
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name4-(2-ethoxyethoxy)-2-phenylbenzoic acid
SMILESCCOCCOc1ccc(C(=O)O)c(-c2ccccc2)c1
InChIInChI=1S/C17H18O4/c1-2-20-10-11-21-14-8-9-15(17(18)19)16(12-14)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,18,19)
InChIKeyLBFINFBNAITFHR-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butoxyphenyl)-4-hexoxybenzoic acid
CID 70214370
5-dodecoxy-2-phenylbenzoic acid
CID 23289015
4-pentoxy-2-(4-pentylphenyl)benzoic acid
CID 67863047
2-(2-ethoxyethoxy)-4-methylbenzoic acid
CID 60676352
2-(4-propoxyphenyl)benzoic acid
CID 62802761
N'-[4-(2-ethoxyethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17112731
2-[4-(2-methyloctanoyl)phenyl]-4-octoxybenzoic acid
CID 67915078
4-chloro-2-(4-ethoxyphenyl)benzoic acid
CID 107989630
4-amino-2-(4-ethoxyphenyl)benzoic acid
CID 82299863
2-amino-4-(2-propoxyethoxy)benzoic acid
CID 104501054
(2-phenylphenyl) 4-(2-ethoxyethoxy)benzenesulfonate
CID 60588263
4-ethoxy-2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]benzoic acid
CID 172717464

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-2-phenylbenzoic acid?
The IUPAC name of 4-(2-ethoxyethoxy)-2-phenylbenzoic acid (CID 70387359) is 4-(2-ethoxyethoxy)-2-phenylbenzoic acid.
What is the SMILES notation for 4-(2-ethoxyethoxy)-2-phenylbenzoic acid?
The canonical SMILES for 4-(2-ethoxyethoxy)-2-phenylbenzoic acid is CCOCCOc1ccc(C(=O)O)c(-c2ccccc2)c1.
What is the InChIKey of 4-(2-ethoxyethoxy)-2-phenylbenzoic acid?
The InChIKey is LBFINFBNAITFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-2-20-10-11-21-14-8-9-15(17(18)19)16(12-14)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,18,19).
What are the key properties of 4-(2-ethoxyethoxy)-2-phenylbenzoic acid?
4-(2-ethoxyethoxy)-2-phenylbenzoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-2-phenylbenzoic acid is sourced from PubChem (CID 70387359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).