2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)-2-methylprop-2-enoate

C16H22O5 — CID 11687938

IUPAC2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)-2-methylprop-2-enoate
SMILESCOc1ccc(/C=C(\C)C(=O)OCC(C)C)c(OC)c1O
InChIInChI=1S/C16H22O5/c1-10(2)9-21-16(18)11(3)8-12-6-7-13(19-4)14(17)15(12)20-5/h6-8,10,17H,9H2,1-5H3/b11-8+
InChIKeyFPEJUQLWWCQNKY-DHZHZOJOSA-N
MW294.35 g/mol
LogP3.01
Rot. Bonds6

About 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)-2-methylprop-2-enoate

2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)-2-methylprop-2-enoate (PubChem CID 11687938) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)-2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)-2-methylprop-2-enoate
PubChem CID11687938
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)-2-methylprop-2-enoate
SMILESCOc1ccc(/C=C(\C)C(=O)OCC(C)C)c(OC)c1O
InChIInChI=1S/C16H22O5/c1-10(2)9-21-16(18)11(3)8-12-6-7-13(19-4)14(17)15(12)20-5/h6-8,10,17H,9H2,1-5H3/b11-8+
InChIKeyFPEJUQLWWCQNKY-DHZHZOJOSA-N
XLogP3.01
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)-2-methylprop-2-enoate 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-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)prop-2-enoate
CID 23124921
methyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate
CID 73071521
3-methyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-one
CID 73015707
2-methylpropyl 4-(2,5-dimethoxyphenyl)-2-methylbuta-2,3-dienoate
CID 11737844
ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate
CID 10955965
(2S)-2-amino-3-hydroxy-N-[(E)-(3-hydroxy-2,4-dimethoxyphenyl)methylideneamino]propanamide
CID 166986656
2-methylpropyl (Z)-2,3-bis(3,4-dimethoxyphenyl)prop-2-enoate
CID 5468999
ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate
CID 67318536
2-methylpropyl 3-chlorosulfonyl-2,6-dimethoxybenzoate
CID 65398129
2-[[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-(carboxymethyl)amino]acetic acid
CID 110506991
3-hydroxy-2,4-dimethoxybenzoic acid
CID 20533708
4-O-(2,6-dimethoxyphenyl) 1-O-(2-methylpropyl) (E)-but-2-enedioate
CID 91721494

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)-2-methylprop-2-enoate?
The IUPAC name of 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)-2-methylprop-2-enoate (CID 11687938) is 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)-2-methylprop-2-enoate.
What is the SMILES notation for 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)-2-methylprop-2-enoate?
The canonical SMILES for 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)-2-methylprop-2-enoate is COc1ccc(/C=C(\C)C(=O)OCC(C)C)c(OC)c1O.
What is the InChIKey of 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)-2-methylprop-2-enoate?
The InChIKey is FPEJUQLWWCQNKY-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H22O5/c1-10(2)9-21-16(18)11(3)8-12-6-7-13(19-4)14(17)15(12)20-5/h6-8,10,17H,9H2,1-5H3/b11-8+.
What are the key properties of 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)-2-methylprop-2-enoate?
2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)-2-methylprop-2-enoate has a molecular weight of 294.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (E)-3-(3-hydroxy-2,4-dimethoxyphenyl)-2-methylprop-2-enoate is sourced from PubChem (CID 11687938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).