(Z)-3-cyclopropyl-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid

C20H20O3 — CID 174159874

IUPAC(Z)-3-cyclopropyl-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid
SMILESC/C(C(=O)O)=C(/c1cccc(OCc2ccccc2)c1)C1CC1
InChIInChI=1S/C20H20O3/c1-14(20(21)22)19(16-10-11-16)17-8-5-9-18(12-17)23-13-15-6-3-2-4-7-15/h2-9,12,16H,10-11,13H2,1H3,(H,21,22)/b19-14-
InChIKeyWMDANDVZZBHWIN-RGEXLXHISA-N
MW308.38 g/mol
LogP4.53
Rot. Bonds6

About (Z)-3-cyclopropyl-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid

(Z)-3-cyclopropyl-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid (PubChem CID 174159874) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (Z)-3-cyclopropyl-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-cyclopropyl-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid
PubChem CID174159874
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name(Z)-3-cyclopropyl-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid
SMILESC/C(C(=O)O)=C(/c1cccc(OCc2ccccc2)c1)C1CC1
InChIInChI=1S/C20H20O3/c1-14(20(21)22)19(16-10-11-16)17-8-5-9-18(12-17)23-13-15-6-3-2-4-7-15/h2-9,12,16H,10-11,13H2,1H3,(H,21,22)/b19-14-
InChIKeyWMDANDVZZBHWIN-RGEXLXHISA-N
XLogP4.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.53
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-2-methyl-3-(3-phenylmethoxyphenyl)prop-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)-3-(3-phenylmethoxyphenyl)but-2-enoic acid
CID 68732642
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-(3-phenylmethoxyphenyl)methanone
CID 171939107
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
(1-ethoxy-1,3-dioxobutan-2-yl) 3-phenylmethoxybenzoate
CID 139830136
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250
2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 70190872
(2-aminophenyl)-(3-phenylmethoxyphenyl)methanone
CID 14903626
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 119650920
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791
(3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462351

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclopropyl-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-cyclopropyl-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid (CID 174159874) is (Z)-3-cyclopropyl-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-cyclopropyl-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-cyclopropyl-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid is C/C(C(=O)O)=C(/c1cccc(OCc2ccccc2)c1)C1CC1.
What is the InChIKey of (Z)-3-cyclopropyl-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid?
The InChIKey is WMDANDVZZBHWIN-RGEXLXHISA-N. The full InChI is InChI=1S/C20H20O3/c1-14(20(21)22)19(16-10-11-16)17-8-5-9-18(12-17)23-13-15-6-3-2-4-7-15/h2-9,12,16H,10-11,13H2,1H3,(H,21,22)/b19-14-.
What are the key properties of (Z)-3-cyclopropyl-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid?
(Z)-3-cyclopropyl-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid has a molecular weight of 308.38 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopropyl-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 174159874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).