2-phenylmethoxyprop-2-enoic acid

C10H10O3 — CID 14954752

IUPAC2-phenylmethoxyprop-2-enoic acid
SMILESC=C(OCc1ccccc1)C(=O)O
InChIInChI=1S/C10H10O3/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,11,12)
InChIKeyUJQQYSQISUVJDR-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.80
Rot. Bonds4

About 2-phenylmethoxyprop-2-enoic acid

2-phenylmethoxyprop-2-enoic acid (PubChem CID 14954752) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-phenylmethoxyprop-2-enoic acid.

Molecular Properties

Compound Name2-phenylmethoxyprop-2-enoic acid
PubChem CID14954752
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name2-phenylmethoxyprop-2-enoic acid
SMILESC=C(OCc1ccccc1)C(=O)O
InChIInChI=1S/C10H10O3/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,11,12)
InChIKeyUJQQYSQISUVJDR-UHFFFAOYSA-N
XLogP1.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-phenylmethoxyprop-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

2-(phenylmethoxycarbonylamino)prop-2-enoic acid
CID 4674477
lithium 1-phenylmethoxyethenolate
CID 23696401
CID 174906307
CID 174906307
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
[(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene
CID 134286025
1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide
CID 174883797
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl acetate
CID 8785
benzyl carbonochloridate
CID 10387
benzyl carbamate;heptahydrochloride
CID 141351835
benzyl 2-(2-methoxyethoxy)prop-2-enoate
CID 141018088
benzyl benzoate
CID 2345

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxyprop-2-enoic acid?
The IUPAC name of 2-phenylmethoxyprop-2-enoic acid (CID 14954752) is 2-phenylmethoxyprop-2-enoic acid.
What is the SMILES notation for 2-phenylmethoxyprop-2-enoic acid?
The canonical SMILES for 2-phenylmethoxyprop-2-enoic acid is C=C(OCc1ccccc1)C(=O)O.
What is the InChIKey of 2-phenylmethoxyprop-2-enoic acid?
The InChIKey is UJQQYSQISUVJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,11,12).
What are the key properties of 2-phenylmethoxyprop-2-enoic acid?
2-phenylmethoxyprop-2-enoic acid has a molecular weight of 178.19 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxyprop-2-enoic acid is sourced from PubChem (CID 14954752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).