2-[4-[3-(2-aminoethoxy)propyl]phenyl]-2-(4-hydroxyphenyl)acetic acid

C19H23NO4 — CID 20722155

IUPAC2-[4-[3-(2-aminoethoxy)propyl]phenyl]-2-(4-hydroxyphenyl)acetic acid
SMILESNCCOCCCc1ccc(C(C(=O)O)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H23NO4/c20-11-13-24-12-1-2-14-3-5-15(6-4-14)18(19(22)23)16-7-9-17(21)10-8-16/h3-10,18,21H,1-2,11-13,20H2,(H,22,23)
InChIKeyVZUMEUCCEVBTPP-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.52
Rot. Bonds9

About 2-[4-[3-(2-aminoethoxy)propyl]phenyl]-2-(4-hydroxyphenyl)acetic acid

2-[4-[3-(2-aminoethoxy)propyl]phenyl]-2-(4-hydroxyphenyl)acetic acid (PubChem CID 20722155) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[4-[3-(2-aminoethoxy)propyl]phenyl]-2-(4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[4-[3-(2-aminoethoxy)propyl]phenyl]-2-(4-hydroxyphenyl)acetic acid
PubChem CID20722155
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-[4-[3-(2-aminoethoxy)propyl]phenyl]-2-(4-hydroxyphenyl)acetic acid
SMILESNCCOCCCc1ccc(C(C(=O)O)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H23NO4/c20-11-13-24-12-1-2-14-3-5-15(6-4-14)18(19(22)23)16-7-9-17(21)10-8-16/h3-10,18,21H,1-2,11-13,20H2,(H,22,23)
InChIKeyVZUMEUCCEVBTPP-UHFFFAOYSA-N
XLogP2.52
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
4-(3-aminopropyl)phenol
CID 4574248
4-(2-aminoethyl)phenol;2-ethoxyethanamine
CID 70105450
4-[4,4-bis(4-hydroxyphenyl)butyl]phenol
CID 56999686
(2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid
CID 139906283
[2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid
CID 66863409
(2-aminoethylamino) 2,2-bis(4-hydroxyphenyl)acetate
CID 88833049
4-phenylbutyl N-(2,2-diphenylacetyl)carbamate
CID 54427908
4-(5-propoxypentyl)phenol
CID 175182886
3-(4-hydroxyphenyl)propyl pentacosanoate
CID 100927949
4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate
CID 42638414
2-[2-(2-aminoethoxy)ethoxy]-4-(4-methylphenyl)butanoic acid
CID 82352836

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-aminoethoxy)propyl]phenyl]-2-(4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-[4-[3-(2-aminoethoxy)propyl]phenyl]-2-(4-hydroxyphenyl)acetic acid (CID 20722155) is 2-[4-[3-(2-aminoethoxy)propyl]phenyl]-2-(4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-[4-[3-(2-aminoethoxy)propyl]phenyl]-2-(4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-[4-[3-(2-aminoethoxy)propyl]phenyl]-2-(4-hydroxyphenyl)acetic acid is NCCOCCCc1ccc(C(C(=O)O)c2ccc(O)cc2)cc1.
What is the InChIKey of 2-[4-[3-(2-aminoethoxy)propyl]phenyl]-2-(4-hydroxyphenyl)acetic acid?
The InChIKey is VZUMEUCCEVBTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c20-11-13-24-12-1-2-14-3-5-15(6-4-14)18(19(22)23)16-7-9-17(21)10-8-16/h3-10,18,21H,1-2,11-13,20H2,(H,22,23).
What are the key properties of 2-[4-[3-(2-aminoethoxy)propyl]phenyl]-2-(4-hydroxyphenyl)acetic acid?
2-[4-[3-(2-aminoethoxy)propyl]phenyl]-2-(4-hydroxyphenyl)acetic acid has a molecular weight of 329.40 g/mol, XLogP of 2.52, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-aminoethoxy)propyl]phenyl]-2-(4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 20722155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).