4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid

C18H19NO3 — CID 69438444

IUPAC4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid
SMILESNc1ccc(/C=C\c2ccc(OCCCC(=O)O)cc2)cc1
InChIInChI=1S/C18H19NO3/c19-16-9-5-14(6-10-16)3-4-15-7-11-17(12-8-15)22-13-1-2-18(20)21/h3-12H,1-2,13,19H2,(H,20,21)/b4-3-
InChIKeyJBMKXGIXHOIBMN-ARJAWSKDSA-N
MW297.35 g/mol
LogP3.68
Rot. Bonds7

About 4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid

4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid (PubChem CID 69438444) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid
PubChem CID69438444
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid
SMILESNc1ccc(/C=C\c2ccc(OCCCC(=O)O)cc2)cc1
InChIInChI=1S/C18H19NO3/c19-16-9-5-14(6-10-16)3-4-15-7-11-17(12-8-15)22-13-1-2-18(20)21/h3-12H,1-2,13,19H2,(H,20,21)/b4-3-
InChIKeyJBMKXGIXHOIBMN-ARJAWSKDSA-N
XLogP3.68
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenoxy)butanoic acid
CID 14451763
6-(4-aminophenoxy)hexanoic acid
CID 3028577
6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol
CID 166905123
4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline
CID 154936794
4-[2-(4-aminophenoxy)ethylsulfonyl]butanoic acid
CID 82183011
7-(4-formylphenoxy)heptanoic acid
CID 169448959
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
ethyl 3-[4-[(E)-2-[4-(3-ethoxy-3-oxopropoxy)phenyl]ethenyl]phenoxy]propanoate
CID 12559678
4-(4-sulfamoylphenoxy)butanoic acid
CID 43164527
(E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one
CID 18795152
4-[4-(4-methylphenyl)phenoxy]butanoic acid
CID 22680200
3-(4-aminophenyl)prop-2-enoic acid;1-ethyl-4-hexoxybenzene
CID 70634886

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid?
The IUPAC name of 4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid (CID 69438444) is 4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid.
What is the SMILES notation for 4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid?
The canonical SMILES for 4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid is Nc1ccc(/C=C\c2ccc(OCCCC(=O)O)cc2)cc1.
What is the InChIKey of 4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid?
The InChIKey is JBMKXGIXHOIBMN-ARJAWSKDSA-N. The full InChI is InChI=1S/C18H19NO3/c19-16-9-5-14(6-10-16)3-4-15-7-11-17(12-8-15)22-13-1-2-18(20)21/h3-12H,1-2,13,19H2,(H,20,21)/b4-3-.
What are the key properties of 4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid?
4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid has a molecular weight of 297.35 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid is sourced from PubChem (CID 69438444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).