4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid

C19H21NO4 — CID 18678227

IUPAC4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1
InChIInChI=1S/C19H21NO4/c21-19(22)15-3-5-17(6-4-15)24-18-9-7-16(8-10-18)23-14-13-20-11-1-2-12-20/h3-10H,1-2,11-14H2,(H,21,22)
InChIKeyUCZFFDLNETYTQM-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.65
Rot. Bonds7

About 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid

4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid (PubChem CID 18678227) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid.

Molecular Properties

Compound Name4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
PubChem CID18678227
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1
InChIInChI=1S/C19H21NO4/c21-19(22)15-3-5-17(6-4-15)24-18-9-7-16(8-10-18)23-14-13-20-11-1-2-12-20/h3-10H,1-2,11-14H2,(H,21,22)
InChIKeyUCZFFDLNETYTQM-UHFFFAOYSA-N
XLogP3.65
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
methane;4-(2-piperidin-1-ylethoxy)benzoic acid;4-(2-piperidin-1-ylethoxy)benzoyl chloride
CID 161045120
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid
CID 22685674
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one
CID 140994444
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 81096927
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-2-en-1-one
CID 162367138
4-[2-(3-oxo-1,4-diazepan-1-yl)ethoxy]benzoic acid
CID 65366467
4-[[[4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]methyl]benzoic acid
CID 122087184

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid?
The IUPAC name of 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid (CID 18678227) is 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid.
What is the SMILES notation for 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid?
The canonical SMILES for 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid is O=C(O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1.
What is the InChIKey of 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid?
The InChIKey is UCZFFDLNETYTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c21-19(22)15-3-5-17(6-4-15)24-18-9-7-16(8-10-18)23-14-13-20-11-1-2-12-20/h3-10H,1-2,11-14H2,(H,21,22).
What are the key properties of 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid?
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid has a molecular weight of 327.38 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid is sourced from PubChem (CID 18678227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).