4-(4-hydroxyphenoxy)pent-2-enoic acid

C11H12O4 — CID 56608257

IUPAC4-(4-hydroxyphenoxy)pent-2-enoic acid
SMILESCC(C=CC(=O)O)Oc1ccc(O)cc1
InChIInChI=1S/C11H12O4/c1-8(2-7-11(13)14)15-10-5-3-9(12)4-6-10/h2-8,12H,1H3,(H,13,14)
InChIKeyNOOPFXAALHCEBR-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.80
Rot. Bonds4

About 4-(4-hydroxyphenoxy)pent-2-enoic acid

4-(4-hydroxyphenoxy)pent-2-enoic acid (PubChem CID 56608257) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 4-(4-hydroxyphenoxy)pent-2-enoic acid.

Molecular Properties

Compound Name4-(4-hydroxyphenoxy)pent-2-enoic acid
PubChem CID56608257
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name4-(4-hydroxyphenoxy)pent-2-enoic acid
SMILESCC(C=CC(=O)O)Oc1ccc(O)cc1
InChIInChI=1S/C11H12O4/c1-8(2-7-11(13)14)15-10-5-3-9(12)4-6-10/h2-8,12H,1H3,(H,13,14)
InChIKeyNOOPFXAALHCEBR-UHFFFAOYSA-N
XLogP1.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-(4-hydroxyphenoxy)pent-2-enoic 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

(E)-4-[4-(4-bromo-2-chlorophenoxy)phenoxy]pent-2-enoic acid
CID 23464160
3-(4-but-3-en-2-yloxyphenyl)prop-2-enoic acid
CID 76942629
(2R)-2-(4-hydroxyphenoxy)propanamide
CID 67641252
ethane;4-propan-2-yloxyphenol
CID 142348653
4-[4-(1-aminoethoxy)phenyl]phenol
CID 163497782
phenyl 2-(4-hydroxyphenoxy)propanoate
CID 12919933
2-oxoethyl 2-(4-hydroxyphenoxy)propanoate
CID 88738844
N-ethyl-2-(4-hydroxyphenoxy)-N-methylpropanamide
CID 166611028
1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea
CID 108871109
(Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 83951842
(2R)-2-(4-methoxyphenoxy)propanal
CID 53381044
(Z)-but-2-enedioic acid;methyl 4-hydroxybenzoate
CID 174448050

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenoxy)pent-2-enoic acid?
The IUPAC name of 4-(4-hydroxyphenoxy)pent-2-enoic acid (CID 56608257) is 4-(4-hydroxyphenoxy)pent-2-enoic acid.
What is the SMILES notation for 4-(4-hydroxyphenoxy)pent-2-enoic acid?
The canonical SMILES for 4-(4-hydroxyphenoxy)pent-2-enoic acid is CC(C=CC(=O)O)Oc1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenoxy)pent-2-enoic acid?
The InChIKey is NOOPFXAALHCEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-8(2-7-11(13)14)15-10-5-3-9(12)4-6-10/h2-8,12H,1H3,(H,13,14).
What are the key properties of 4-(4-hydroxyphenoxy)pent-2-enoic acid?
4-(4-hydroxyphenoxy)pent-2-enoic acid has a molecular weight of 208.21 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenoxy)pent-2-enoic acid is sourced from PubChem (CID 56608257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).