2-(4-phenylphenyl)phosphanylethyl prop-2-enoate

C17H17O2P — CID 54188733

IUPAC2-(4-phenylphenyl)phosphanylethyl prop-2-enoate
SMILESC=CC(=O)OCCPc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17O2P/c1-2-17(18)19-12-13-20-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h2-11,20H,1,12-13H2
InChIKeyPGZGYQPHMYASSQ-UHFFFAOYSA-N
MW284.30 g/mol
LogP3.39
Rot. Bonds6

About 2-(4-phenylphenyl)phosphanylethyl prop-2-enoate

2-(4-phenylphenyl)phosphanylethyl prop-2-enoate (PubChem CID 54188733) has the molecular formula C17H17O2P and a molecular weight of 284.30 g/mol. Its IUPAC name is 2-(4-phenylphenyl)phosphanylethyl prop-2-enoate.

Molecular Properties

Compound Name2-(4-phenylphenyl)phosphanylethyl prop-2-enoate
PubChem CID54188733
Molecular FormulaC17H17O2P
Molecular Weight284.30 g/mol
Exact Mass284.10
IUPAC Name2-(4-phenylphenyl)phosphanylethyl prop-2-enoate
SMILESC=CC(=O)OCCPc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17O2P/c1-2-17(18)19-12-13-20-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h2-11,20H,1,12-13H2
InChIKeyPGZGYQPHMYASSQ-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
(4-phenylphenyl) 3-prop-2-enoyloxypropanoate
CID 171768556
5-(4-phenylphenyl)sulfanylpentyl prop-2-enoate
CID 118222523
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate
CID 59399913
[4-(6-prop-2-enoyloxyhexoxy)benzoyl] 4-phenylbenzoate
CID 174791572
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
2-[diphenyl(2-prop-2-enoyloxyethyl)silyl]ethyl prop-2-enoate
CID 155652880
butyl prop-2-enoate;styrene
CID 68545727

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)phosphanylethyl prop-2-enoate?
The IUPAC name of 2-(4-phenylphenyl)phosphanylethyl prop-2-enoate (CID 54188733) is 2-(4-phenylphenyl)phosphanylethyl prop-2-enoate.
What is the SMILES notation for 2-(4-phenylphenyl)phosphanylethyl prop-2-enoate?
The canonical SMILES for 2-(4-phenylphenyl)phosphanylethyl prop-2-enoate is C=CC(=O)OCCPc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)phosphanylethyl prop-2-enoate?
The InChIKey is PGZGYQPHMYASSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17O2P/c1-2-17(18)19-12-13-20-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h2-11,20H,1,12-13H2.
What are the key properties of 2-(4-phenylphenyl)phosphanylethyl prop-2-enoate?
2-(4-phenylphenyl)phosphanylethyl prop-2-enoate has a molecular weight of 284.30 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)phosphanylethyl prop-2-enoate is sourced from PubChem (CID 54188733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).