methane;2-(4-phenylphenoxy)ethyl prop-2-enoate

C19H24O3 — CID 159356060

IUPACmethane;2-(4-phenylphenoxy)ethyl prop-2-enoate
SMILESC.C.C=CC(=O)OCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16O3.2CH4/c1-2-17(18)20-13-12-19-16-10-8-15(9-11-16)14-6-4-3-5-7-14;;/h2-11H,1,12-13H2;2*1H4
InChIKeyLHXWZNQFXHUAOY-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.73
Rot. Bonds6

About methane;2-(4-phenylphenoxy)ethyl prop-2-enoate

methane;2-(4-phenylphenoxy)ethyl prop-2-enoate (PubChem CID 159356060) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is methane;2-(4-phenylphenoxy)ethyl prop-2-enoate.

Molecular Properties

Compound Namemethane;2-(4-phenylphenoxy)ethyl prop-2-enoate
PubChem CID159356060
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Namemethane;2-(4-phenylphenoxy)ethyl prop-2-enoate
SMILESC.C.C=CC(=O)OCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16O3.2CH4/c1-2-17(18)20-13-12-19-16-10-8-15(9-11-16)14-6-4-3-5-7-14;;/h2-11H,1,12-13H2;2*1H4
InChIKeyLHXWZNQFXHUAOY-UHFFFAOYSA-N
XLogP4.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methane;2-(4-phenylphenoxy)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-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate
CID 15789891
[4-[4-(2-prop-2-enoyloxyethoxy)phenyl]phenyl]boronic acid
CID 162702389
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
[4-(6-prop-2-enoyloxyhexoxy)benzoyl] 4-phenylbenzoate
CID 174791572
2-[4-(4-nitrophenyl)phenoxy]ethyl prop-2-enoate
CID 139922179
4-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenoxy]butyl (E)-3-phenylprop-2-enoate
CID 102145573
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
(4-phenylphenyl) 3-prop-2-enoyloxypropanoate
CID 171768556
2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate
CID 167210341
3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate
CID 144554090

Frequently Asked Questions

What is the IUPAC name of methane;2-(4-phenylphenoxy)ethyl prop-2-enoate?
The IUPAC name of methane;2-(4-phenylphenoxy)ethyl prop-2-enoate (CID 159356060) is methane;2-(4-phenylphenoxy)ethyl prop-2-enoate.
What is the SMILES notation for methane;2-(4-phenylphenoxy)ethyl prop-2-enoate?
The canonical SMILES for methane;2-(4-phenylphenoxy)ethyl prop-2-enoate is C.C.C=CC(=O)OCCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of methane;2-(4-phenylphenoxy)ethyl prop-2-enoate?
The InChIKey is LHXWZNQFXHUAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3.2CH4/c1-2-17(18)20-13-12-19-16-10-8-15(9-11-16)14-6-4-3-5-7-14;;/h2-11H,1,12-13H2;2*1H4.
What are the key properties of methane;2-(4-phenylphenoxy)ethyl prop-2-enoate?
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate has a molecular weight of 300.40 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(4-phenylphenoxy)ethyl prop-2-enoate is sourced from PubChem (CID 159356060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).