(2,4,6-trimethylphenyl) 2-(2-phosphonooxyethoxymethyl)prop-2-enoate

C15H21O7P — CID 23152149

IUPAC(2,4,6-trimethylphenyl) 2-(2-phosphonooxyethoxymethyl)prop-2-enoate
SMILESC=C(COCCOP(=O)(O)O)C(=O)Oc1c(C)cc(C)cc1C
InChIInChI=1S/C15H21O7P/c1-10-7-11(2)14(12(3)8-10)22-15(16)13(4)9-20-5-6-21-23(17,18)19/h7-8H,4-6,9H2,1-3H3,(H2,17,18,19)
InChIKeyFRZHTSSCDYUVEY-UHFFFAOYSA-N
MW344.30 g/mol
LogP2.20
Rot. Bonds8

About (2,4,6-trimethylphenyl) 2-(2-phosphonooxyethoxymethyl)prop-2-enoate

(2,4,6-trimethylphenyl) 2-(2-phosphonooxyethoxymethyl)prop-2-enoate (PubChem CID 23152149) has the molecular formula C15H21O7P and a molecular weight of 344.30 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl) 2-(2-phosphonooxyethoxymethyl)prop-2-enoate.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl) 2-(2-phosphonooxyethoxymethyl)prop-2-enoate
PubChem CID23152149
Molecular FormulaC15H21O7P
Molecular Weight344.30 g/mol
Exact Mass344.10
IUPAC Name(2,4,6-trimethylphenyl) 2-(2-phosphonooxyethoxymethyl)prop-2-enoate
SMILESC=C(COCCOP(=O)(O)O)C(=O)Oc1c(C)cc(C)cc1C
InChIInChI=1S/C15H21O7P/c1-10-7-11(2)14(12(3)8-10)22-15(16)13(4)9-20-5-6-21-23(17,18)19/h7-8H,4-6,9H2,1-3H3,(H2,17,18,19)
InChIKeyFRZHTSSCDYUVEY-UHFFFAOYSA-N
XLogP2.20
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,4,6-trimethylphenyl) 2-(2-phosphonooxyethoxymethyl)prop-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-(2-phosphonooxyethoxymethyl)prop-2-enoic acid
CID 23152156
4-(2,4,6-trimethylphenoxy)pent-4-enoic acid
CID 143069351
2-[2-[2-[2-[2-[2-[hydroxy-[2-[2-[2-[2-[2-(2-phosphonooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-methylphosphinic acid
CID 174196734
2-(2-methoxycarbonylprop-2-enoxy)ethylphosphonic acid
CID 59930566
bis(3,5-dimethylphenyl) 2-methylidenebutanedioate
CID 101052640
butane-2,3-diol;(2,4,6-trimethylphenyl) 2-oxo-2-(2,4,6-trimethylphenyl)acetate
CID 90416013
(2,4,6-trimethylphenyl) N,N-diethylcarbamate
CID 122209777
(2,4,6-trimethylphenyl) 2-amino-3-methylbutanoate
CID 82116665
2-(4-chloro-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7642269
[2-[2-(2-hydroxypropoxy)ethoxy]ethoxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 90240840
(2,4,6-trimethylphenyl) 2-aminopropanoate
CID 77308441
(2,4,6-trimethylphenyl) (2S)-2-aminopropanoate
CID 67529614

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylphenyl) 2-(2-phosphonooxyethoxymethyl)prop-2-enoate?
The IUPAC name of (2,4,6-trimethylphenyl) 2-(2-phosphonooxyethoxymethyl)prop-2-enoate (CID 23152149) is (2,4,6-trimethylphenyl) 2-(2-phosphonooxyethoxymethyl)prop-2-enoate.
What is the SMILES notation for (2,4,6-trimethylphenyl) 2-(2-phosphonooxyethoxymethyl)prop-2-enoate?
The canonical SMILES for (2,4,6-trimethylphenyl) 2-(2-phosphonooxyethoxymethyl)prop-2-enoate is C=C(COCCOP(=O)(O)O)C(=O)Oc1c(C)cc(C)cc1C.
What is the InChIKey of (2,4,6-trimethylphenyl) 2-(2-phosphonooxyethoxymethyl)prop-2-enoate?
The InChIKey is FRZHTSSCDYUVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O7P/c1-10-7-11(2)14(12(3)8-10)22-15(16)13(4)9-20-5-6-21-23(17,18)19/h7-8H,4-6,9H2,1-3H3,(H2,17,18,19).
What are the key properties of (2,4,6-trimethylphenyl) 2-(2-phosphonooxyethoxymethyl)prop-2-enoate?
(2,4,6-trimethylphenyl) 2-(2-phosphonooxyethoxymethyl)prop-2-enoate has a molecular weight of 344.30 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl) 2-(2-phosphonooxyethoxymethyl)prop-2-enoate is sourced from PubChem (CID 23152149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).