(Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid

C14H16O3 — CID 82082372

IUPAC(Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid
SMILESCOc1ccccc1C/C(=C/C(=O)O)C1CC1
InChIInChI=1S/C14H16O3/c1-17-13-5-3-2-4-11(13)8-12(9-14(15)16)10-6-7-10/h2-5,9-10H,6-8H2,1H3,(H,15,16)/b12-9-
InChIKeyOMAJKRLHBNBXFT-XFXZXTDPSA-N
MW232.28 g/mol
LogP2.66
Rot. Bonds5

About (Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid

(Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid (PubChem CID 82082372) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is (Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid
PubChem CID82082372
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name(Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid
SMILESCOc1ccccc1C/C(=C/C(=O)O)C1CC1
InChIInChI=1S/C14H16O3/c1-17-13-5-3-2-4-11(13)8-12(9-14(15)16)10-6-7-10/h2-5,9-10H,6-8H2,1H3,(H,15,16)/b12-9-
InChIKeyOMAJKRLHBNBXFT-XFXZXTDPSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-cyclopropyl-4-(2-methoxyphenyl)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

(Z)-4-(2-methoxyphenyl)-3-methylbut-2-enoic acid
CID 97301486
1-cyclobutyl-2-(2-methoxyphenyl)ethanone
CID 61079535
4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174
cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675040
2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 115997761
1-[4-(2-methoxyphenyl)-3-methylbut-2-enoyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 126770838
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148544
1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583565
1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one
CID 116709197
(2-methoxyphenyl)methyl cyclopentanecarboxylate
CID 78760103

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid?
The IUPAC name of (Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid (CID 82082372) is (Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid.
What is the SMILES notation for (Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid?
The canonical SMILES for (Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid is COc1ccccc1C/C(=C/C(=O)O)C1CC1.
What is the InChIKey of (Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid?
The InChIKey is OMAJKRLHBNBXFT-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H16O3/c1-17-13-5-3-2-4-11(13)8-12(9-14(15)16)10-6-7-10/h2-5,9-10H,6-8H2,1H3,(H,15,16)/b12-9-.
What are the key properties of (Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid?
(Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid is sourced from PubChem (CID 82082372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).