(E)-3-cyclobutyl-3-(2-methoxy-3,5-dimethylphenyl)prop-2-enoic acid

C16H20O3 — CID 82301735

IUPAC(E)-3-cyclobutyl-3-(2-methoxy-3,5-dimethylphenyl)prop-2-enoic acid
SMILESCOc1c(C)cc(C)cc1/C(=C/C(=O)O)C1CCC1
InChIInChI=1S/C16H20O3/c1-10-7-11(2)16(19-3)14(8-10)13(9-15(17)18)12-5-4-6-12/h7-9,12H,4-6H2,1-3H3,(H,17,18)/b13-9+
InChIKeyYVKDOXQDXIZZBL-UKTHLTGXSA-N
MW260.33 g/mol
LogP3.58
Rot. Bonds4

About (E)-3-cyclobutyl-3-(2-methoxy-3,5-dimethylphenyl)prop-2-enoic acid

(E)-3-cyclobutyl-3-(2-methoxy-3,5-dimethylphenyl)prop-2-enoic acid (PubChem CID 82301735) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is (E)-3-cyclobutyl-3-(2-methoxy-3,5-dimethylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-cyclobutyl-3-(2-methoxy-3,5-dimethylphenyl)prop-2-enoic acid
PubChem CID82301735
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name(E)-3-cyclobutyl-3-(2-methoxy-3,5-dimethylphenyl)prop-2-enoic acid
SMILESCOc1c(C)cc(C)cc1/C(=C/C(=O)O)C1CCC1
InChIInChI=1S/C16H20O3/c1-10-7-11(2)16(19-3)14(8-10)13(9-15(17)18)12-5-4-6-12/h7-9,12H,4-6H2,1-3H3,(H,17,18)/b13-9+
InChIKeyYVKDOXQDXIZZBL-UKTHLTGXSA-N
XLogP3.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-cyclobutyl-3-(2-methoxy-3,5-dimethylphenyl)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-cyclopropyl-3-(2,4-dimethylphenyl)prop-2-enoic acid
CID 82048785
(E)-3-(5-bromo-2-methoxyphenyl)-3-cyclobutylprop-2-enoic acid
CID 82308883
(E)-3-cyclopentyl-3-(2-methylphenyl)prop-2-enoic acid
CID 82081825
(E)-3-cyclopropyl-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enoic acid
CID 82049340
(E)-3-piperidin-4-yl-3-(2,4,6-trimethylphenyl)prop-2-enoic acid
CID 82488852
(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290165
cyclopropyl-[4-(2-methoxy-3,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806493
(E)-3-cyclopropyl-3-(2-methoxy-5-propan-2-ylphenyl)prop-2-enoic acid
CID 82049690
(E)-3-cyclopropyl-3-(7-methyl-1H-indol-3-yl)prop-2-enoic acid
CID 82277818
(E)-3-cyclobutyl-3-(1-methylindol-3-yl)prop-2-enoic acid
CID 82277342
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 5235973

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclobutyl-3-(2-methoxy-3,5-dimethylphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-cyclobutyl-3-(2-methoxy-3,5-dimethylphenyl)prop-2-enoic acid (CID 82301735) is (E)-3-cyclobutyl-3-(2-methoxy-3,5-dimethylphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-cyclobutyl-3-(2-methoxy-3,5-dimethylphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-cyclobutyl-3-(2-methoxy-3,5-dimethylphenyl)prop-2-enoic acid is COc1c(C)cc(C)cc1/C(=C/C(=O)O)C1CCC1.
What is the InChIKey of (E)-3-cyclobutyl-3-(2-methoxy-3,5-dimethylphenyl)prop-2-enoic acid?
The InChIKey is YVKDOXQDXIZZBL-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H20O3/c1-10-7-11(2)16(19-3)14(8-10)13(9-15(17)18)12-5-4-6-12/h7-9,12H,4-6H2,1-3H3,(H,17,18)/b13-9+.
What are the key properties of (E)-3-cyclobutyl-3-(2-methoxy-3,5-dimethylphenyl)prop-2-enoic acid?
(E)-3-cyclobutyl-3-(2-methoxy-3,5-dimethylphenyl)prop-2-enoic acid has a molecular weight of 260.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclobutyl-3-(2-methoxy-3,5-dimethylphenyl)prop-2-enoic acid is sourced from PubChem (CID 82301735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).