4-[4-[1-(1-ethoxypropoxy)ethyl]phenyl]benzoic acid

C20H24O4 — CID 19011314

IUPAC4-[4-[1-(1-ethoxypropoxy)ethyl]phenyl]benzoic acid
SMILESCCOC(CC)OC(C)c1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C20H24O4/c1-4-19(23-5-2)24-14(3)15-6-8-16(9-7-15)17-10-12-18(13-11-17)20(21)22/h6-14,19H,4-5H2,1-3H3,(H,21,22)
InChIKeyXCXHIQHIIDJZFD-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.90
Rot. Bonds8

About 4-[4-[1-(1-ethoxypropoxy)ethyl]phenyl]benzoic acid

4-[4-[1-(1-ethoxypropoxy)ethyl]phenyl]benzoic acid (PubChem CID 19011314) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-[4-[1-(1-ethoxypropoxy)ethyl]phenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-[1-(1-ethoxypropoxy)ethyl]phenyl]benzoic acid
PubChem CID19011314
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name4-[4-[1-(1-ethoxypropoxy)ethyl]phenyl]benzoic acid
SMILESCCOC(CC)OC(C)c1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C20H24O4/c1-4-19(23-5-2)24-14(3)15-6-8-16(9-7-15)17-10-12-18(13-11-17)20(21)22/h6-14,19H,4-5H2,1-3H3,(H,21,22)
InChIKeyXCXHIQHIIDJZFD-UHFFFAOYSA-N
XLogP4.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[4-[1-(1-ethoxypropoxy)ethyl]phenyl]benzoic 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

4-[4-[1-[(2S)-2-methylbutanoyl]oxyethyl]phenyl]benzoic acid
CID 14675905
4-[1-(2-methylbutoxy)ethyl]benzoic acid
CID 14473442
4-(1-propoxyethyl)benzoic acid
CID 14473433
4-(2,2-diethoxyethylsulfanyl)benzoic acid
CID 80503201
4-[ethoxy(phenyl)methyl]benzoic acid
CID 22745121
1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone
CID 124500301
4-(1-phenylmethoxyethyl)benzoic acid
CID 174549407
4-(1-acetyloxyethyl)benzoic acid
CID 57306237
4-(1-methoxypropyl)benzoic acid
CID 69343371
4-[4-[4-(1-hydroxyethyl)phenyl]-N-[4-[4-(1-hydroxyethyl)phenyl]phenyl]anilino]benzoic acid
CID 122508574
4-[4-(2-propoxypropyl)phenyl]benzoic acid
CID 15027159
4-(1-azidoethyl)benzoic acid
CID 91436419

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(1-ethoxypropoxy)ethyl]phenyl]benzoic acid?
The IUPAC name of 4-[4-[1-(1-ethoxypropoxy)ethyl]phenyl]benzoic acid (CID 19011314) is 4-[4-[1-(1-ethoxypropoxy)ethyl]phenyl]benzoic acid.
What is the SMILES notation for 4-[4-[1-(1-ethoxypropoxy)ethyl]phenyl]benzoic acid?
The canonical SMILES for 4-[4-[1-(1-ethoxypropoxy)ethyl]phenyl]benzoic acid is CCOC(CC)OC(C)c1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[4-[1-(1-ethoxypropoxy)ethyl]phenyl]benzoic acid?
The InChIKey is XCXHIQHIIDJZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-4-19(23-5-2)24-14(3)15-6-8-16(9-7-15)17-10-12-18(13-11-17)20(21)22/h6-14,19H,4-5H2,1-3H3,(H,21,22).
What are the key properties of 4-[4-[1-(1-ethoxypropoxy)ethyl]phenyl]benzoic acid?
4-[4-[1-(1-ethoxypropoxy)ethyl]phenyl]benzoic acid has a molecular weight of 328.41 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(1-ethoxypropoxy)ethyl]phenyl]benzoic acid is sourced from PubChem (CID 19011314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).