4-(hydroxymethyl)-5-(2-phenylphenoxy)pent-2-enoic acid

C18H18O4 — CID 118471960

IUPAC4-(hydroxymethyl)-5-(2-phenylphenoxy)pent-2-enoic acid
SMILESO=C(O)C=CC(CO)COc1ccccc1-c1ccccc1
InChIInChI=1S/C18H18O4/c19-12-14(10-11-18(20)21)13-22-17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-11,14,19H,12-13H2,(H,20,21)
InChIKeyOAFWZTJFCKFABP-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.98
Rot. Bonds7

About 4-(hydroxymethyl)-5-(2-phenylphenoxy)pent-2-enoic acid

4-(hydroxymethyl)-5-(2-phenylphenoxy)pent-2-enoic acid (PubChem CID 118471960) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-(2-phenylphenoxy)pent-2-enoic acid.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-(2-phenylphenoxy)pent-2-enoic acid
PubChem CID118471960
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name4-(hydroxymethyl)-5-(2-phenylphenoxy)pent-2-enoic acid
SMILESO=C(O)C=CC(CO)COc1ccccc1-c1ccccc1
InChIInChI=1S/C18H18O4/c19-12-14(10-11-18(20)21)13-22-17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-11,14,19H,12-13H2,(H,20,21)
InChIKeyOAFWZTJFCKFABP-UHFFFAOYSA-N
XLogP2.98
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(hydroxymethyl)-5-(2-phenylphenoxy)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

3-(hydroxymethyl)-2-methylidene-4-(2-phenylphenoxy)butanoic acid
CID 118471959
1-(2,2-difluoroethoxy)-2-phenylbenzene
CID 19593759
bis[12-(2-phenylphenoxy)dodecyl] (Z)-but-2-enedioate
CID 118941078
(2R)-1-chloro-3-(2-phenylphenoxy)propan-2-ol
CID 124571669
[(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate
CID 129405839
3-(2-phenylphenoxy)-2-(propylamino)propan-1-ol
CID 64802633
bis[2-hydroxy-3-(2-phenylphenoxy)propyl] benzene-1,2-dicarboxylate
CID 142703345
1-[(2S)-2-methylbutoxy]-2-phenylbenzene
CID 57221058
3-phenyl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5088874
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
2-[2-(2-phenylphenoxy)ethoxy]ethyl prop-2-enoate
CID 23290048
N-[(Z)-benzylideneamino]-2-(2-phenylphenoxy)acetamide
CID 5420157

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-(2-phenylphenoxy)pent-2-enoic acid?
The IUPAC name of 4-(hydroxymethyl)-5-(2-phenylphenoxy)pent-2-enoic acid (CID 118471960) is 4-(hydroxymethyl)-5-(2-phenylphenoxy)pent-2-enoic acid.
What is the SMILES notation for 4-(hydroxymethyl)-5-(2-phenylphenoxy)pent-2-enoic acid?
The canonical SMILES for 4-(hydroxymethyl)-5-(2-phenylphenoxy)pent-2-enoic acid is O=C(O)C=CC(CO)COc1ccccc1-c1ccccc1.
What is the InChIKey of 4-(hydroxymethyl)-5-(2-phenylphenoxy)pent-2-enoic acid?
The InChIKey is OAFWZTJFCKFABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c19-12-14(10-11-18(20)21)13-22-17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-11,14,19H,12-13H2,(H,20,21).
What are the key properties of 4-(hydroxymethyl)-5-(2-phenylphenoxy)pent-2-enoic acid?
4-(hydroxymethyl)-5-(2-phenylphenoxy)pent-2-enoic acid has a molecular weight of 298.34 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-(2-phenylphenoxy)pent-2-enoic acid is sourced from PubChem (CID 118471960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).