3-methoxy-2-[(2-methyl-5-phenylphenyl)methyl]but-2-enoic acid

C19H20O3 — CID 139879847

IUPAC3-methoxy-2-[(2-methyl-5-phenylphenyl)methyl]but-2-enoic acid
SMILESCOC(C)=C(Cc1cc(-c2ccccc2)ccc1C)C(=O)O
InChIInChI=1S/C19H20O3/c1-13-9-10-16(15-7-5-4-6-8-15)11-17(13)12-18(19(20)21)14(2)22-3/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyUYGUYCGMDIUUBA-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.21
Rot. Bonds5

About 3-methoxy-2-[(2-methyl-5-phenylphenyl)methyl]but-2-enoic acid

3-methoxy-2-[(2-methyl-5-phenylphenyl)methyl]but-2-enoic acid (PubChem CID 139879847) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-methoxy-2-[(2-methyl-5-phenylphenyl)methyl]but-2-enoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(2-methyl-5-phenylphenyl)methyl]but-2-enoic acid
PubChem CID139879847
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name3-methoxy-2-[(2-methyl-5-phenylphenyl)methyl]but-2-enoic acid
SMILESCOC(C)=C(Cc1cc(-c2ccccc2)ccc1C)C(=O)O
InChIInChI=1S/C19H20O3/c1-13-9-10-16(15-7-5-4-6-8-15)11-17(13)12-18(19(20)21)14(2)22-3/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyUYGUYCGMDIUUBA-UHFFFAOYSA-N
XLogP4.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.21
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 3-methoxy-2-[(2-methyl-5-phenylphenyl)methyl]but-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-methoxy-2-[[2-methyl-5-(6-methyl-2-pyridinyl)phenyl]methyl]but-2-enoic acid
CID 139879872
3-methoxy-2-[[5-(6-methoxy-2-pyridinyl)-2-methylphenyl]methyl]but-2-enoic acid
CID 139879837
2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid
CID 68810177
methyl 2-(2-hydroxy-5-phenylphenyl)acetate
CID 174533369
2-(2-methyl-5-phenylphenyl)ethanamine
CID 115027519
methyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate
CID 174643019
3-methoxy-4-[(2-methyl-5-phenylphenyl)methyl]-1H-1,2,4-triazol-5-one
CID 18388852
1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone
CID 144853232
1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
CID 20716213
2-(2-methoxy-4-phenylphenyl)acetic acid
CID 23503476
methyl 2-[3-[2-(fluoroamino)-2-oxoethyl]-4-methylphenyl]benzoate
CID 140831551
methyl 2-methyl-4-phenyl-6-(phenylselanylmethyl)benzoate
CID 58304362

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(2-methyl-5-phenylphenyl)methyl]but-2-enoic acid?
The IUPAC name of 3-methoxy-2-[(2-methyl-5-phenylphenyl)methyl]but-2-enoic acid (CID 139879847) is 3-methoxy-2-[(2-methyl-5-phenylphenyl)methyl]but-2-enoic acid.
What is the SMILES notation for 3-methoxy-2-[(2-methyl-5-phenylphenyl)methyl]but-2-enoic acid?
The canonical SMILES for 3-methoxy-2-[(2-methyl-5-phenylphenyl)methyl]but-2-enoic acid is COC(C)=C(Cc1cc(-c2ccccc2)ccc1C)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(2-methyl-5-phenylphenyl)methyl]but-2-enoic acid?
The InChIKey is UYGUYCGMDIUUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-13-9-10-16(15-7-5-4-6-8-15)11-17(13)12-18(19(20)21)14(2)22-3/h4-11H,12H2,1-3H3,(H,20,21).
What are the key properties of 3-methoxy-2-[(2-methyl-5-phenylphenyl)methyl]but-2-enoic acid?
3-methoxy-2-[(2-methyl-5-phenylphenyl)methyl]but-2-enoic acid has a molecular weight of 296.37 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(2-methyl-5-phenylphenyl)methyl]but-2-enoic acid is sourced from PubChem (CID 139879847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).