formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate

C23H24O6 — CID 162101397

IUPACformaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(Cc2ccc(COC(=O)C=C)cc2)cc1.C=O
InChIInChI=1S/C22H22O5.CH2O/c1-3-21(23)26-14-13-25-20-11-9-18(10-12-20)15-17-5-7-19(8-6-17)16-27-22(24)4-2;1-2/h3-12H,1-2,13-16H2;1H2
InChIKeyZEXWTVBPTKZFQF-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.43
Rot. Bonds10

About formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate

formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate (PubChem CID 162101397) has the molecular formula C23H24O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Nameformaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
PubChem CID162101397
Molecular FormulaC23H24O6
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Nameformaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(Cc2ccc(COC(=O)C=C)cc2)cc1.C=O
InChIInChI=1S/C22H22O5.CH2O/c1-3-21(23)26-14-13-25-20-11-9-18(10-12-20)15-17-5-7-19(8-6-17)16-27-22(24)4-2;1-2/h3-12H,1-2,13-16H2;1H2
InChIKeyZEXWTVBPTKZFQF-UHFFFAOYSA-N
XLogP3.43
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl 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-[4-[[4-(4-cyanophenyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
CID 59642173
6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate
CID 91409634
2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
CID 59642174
2-[4-[[4-(2-prop-1-enoxyethoxy)phenyl]methyl]phenyl]ethyl prop-2-enoate
CID 151922755
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate
CID 118333634
[4-[4-(prop-2-enoyloxymethyl)-N-[4-[[4-(prop-2-enoyloxymethyl)phenoxy]methoxy]phenyl]anilino]phenyl]methyl prop-2-enoate
CID 59716165
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
methane;[4-[[4-[(4-prop-2-enoyloxyphenyl)methyl]phenyl]methyl]phenoxy]methyl prop-2-enoate
CID 157445975
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate?
The IUPAC name of formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate (CID 162101397) is formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate?
The canonical SMILES for formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1ccc(Cc2ccc(COC(=O)C=C)cc2)cc1.C=O.
What is the InChIKey of formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate?
The InChIKey is ZEXWTVBPTKZFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O5.CH2O/c1-3-21(23)26-14-13-25-20-11-9-18(10-12-20)15-17-5-7-19(8-6-17)16-27-22(24)4-2;1-2/h3-12H,1-2,13-16H2;1H2.
What are the key properties of formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate?
formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate has a molecular weight of 396.44 g/mol, XLogP of 3.43, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 162101397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).