[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl] 2-methylprop-2-enoate

C25H27O4P — CID 174824039

IUPAC[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OP(O)(Oc1ccccc1C)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C25H27O4P/c1-18(2)25(26)29-30(27,23-16-10-7-13-20(23)4,24-17-11-8-14-21(24)5)28-22-15-9-6-12-19(22)3/h6-17,27H,1H2,2-5H3
InChIKeyCIZWZXBOZVYVPS-UHFFFAOYSA-N
MW422.46 g/mol
LogP5.05
Rot. Bonds6

About [hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl] 2-methylprop-2-enoate

[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl] 2-methylprop-2-enoate (PubChem CID 174824039) has the molecular formula C25H27O4P and a molecular weight of 422.46 g/mol. Its IUPAC name is [hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl] 2-methylprop-2-enoate
PubChem CID174824039
Molecular FormulaC25H27O4P
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Name[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OP(O)(Oc1ccccc1C)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C25H27O4P/c1-18(2)25(26)29-30(27,23-16-10-7-13-20(23)4,24-17-11-8-14-21(24)5)28-22-15-9-6-12-19(22)3/h6-17,27H,1H2,2-5H3
InChIKeyCIZWZXBOZVYVPS-UHFFFAOYSA-N
XLogP5.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane
CID 174541027
N-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate
CID 160689388
(2-methylphenyl) 2-aminoprop-2-enoate
CID 174884236
(2-methylphenyl) 2-(2-methylprop-2-enoyloxy)-3-oxobutanoate
CID 69128181
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
1-O-ethyl 2-O-(2-methylphenyl) oxalate
CID 6422111
2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate
CID 151897080
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
[2-(1,1-dibromononyl)phenyl] 2-methylprop-2-enoate
CID 70386256
(2-methylphenyl) 2-methylidenehexanoate
CID 139998276
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902

Frequently Asked Questions

What is the IUPAC name of [hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl] 2-methylprop-2-enoate?
The IUPAC name of [hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl] 2-methylprop-2-enoate (CID 174824039) is [hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl] 2-methylprop-2-enoate.
What is the SMILES notation for [hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl] 2-methylprop-2-enoate?
The canonical SMILES for [hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl] 2-methylprop-2-enoate is C=C(C)C(=O)OP(O)(Oc1ccccc1C)(c1ccccc1C)c1ccccc1C.
What is the InChIKey of [hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl] 2-methylprop-2-enoate?
The InChIKey is CIZWZXBOZVYVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27O4P/c1-18(2)25(26)29-30(27,23-16-10-7-13-20(23)4,24-17-11-8-14-21(24)5)28-22-15-9-6-12-19(22)3/h6-17,27H,1H2,2-5H3.
What are the key properties of [hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl] 2-methylprop-2-enoate?
[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl] 2-methylprop-2-enoate has a molecular weight of 422.46 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl] 2-methylprop-2-enoate is sourced from PubChem (CID 174824039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).