hydroxy-[4-methoxy-2-[2-(2-methylprop-2-enoyloxy)ethyl]phenoxy]-oxophosphanium

C13H16O6P+ — CID 174909275

IUPAChydroxy-[4-methoxy-2-[2-(2-methylprop-2-enoyloxy)ethyl]phenoxy]-oxophosphanium
SMILESC=C(C)C(=O)OCCc1cc(OC)ccc1O[P+](=O)O
InChIInChI=1S/C13H15O6P/c1-9(2)13(14)18-7-6-10-8-11(17-3)4-5-12(10)19-20(15)16/h4-5,8H,1,6-7H2,2-3H3/p+1
InChIKeyIRXFYSZGUWEKKB-UHFFFAOYSA-O
MW299.24 g/mol
LogP2.39
Rot. Bonds7

About hydroxy-[4-methoxy-2-[2-(2-methylprop-2-enoyloxy)ethyl]phenoxy]-oxophosphanium

hydroxy-[4-methoxy-2-[2-(2-methylprop-2-enoyloxy)ethyl]phenoxy]-oxophosphanium (PubChem CID 174909275) has the molecular formula C13H16O6P+ and a molecular weight of 299.24 g/mol. Its IUPAC name is hydroxy-[4-methoxy-2-[2-(2-methylprop-2-enoyloxy)ethyl]phenoxy]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[4-methoxy-2-[2-(2-methylprop-2-enoyloxy)ethyl]phenoxy]-oxophosphanium
PubChem CID174909275
Molecular FormulaC13H16O6P+
Molecular Weight299.24 g/mol
Exact Mass299.07
IUPAC Namehydroxy-[4-methoxy-2-[2-(2-methylprop-2-enoyloxy)ethyl]phenoxy]-oxophosphanium
SMILESC=C(C)C(=O)OCCc1cc(OC)ccc1O[P+](=O)O
InChIInChI=1S/C13H15O6P/c1-9(2)13(14)18-7-6-10-8-11(17-3)4-5-12(10)19-20(15)16/h4-5,8H,1,6-7H2,2-3H3/p+1
InChIKeyIRXFYSZGUWEKKB-UHFFFAOYSA-O
XLogP2.39
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(2,5-dimethoxyphenyl)ethyl carbamate
CID 175601601
2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate
CID 118031006
(4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate
CID 67777483
2-(5-methyl-2-phosphonooxyphenyl)ethyl 2-methylprop-2-enoate
CID 22708503
2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate
CID 134201092
3-(2,3,4-trimethoxyphenyl)propyl 2-methylprop-2-enoate
CID 175430162
[3-[10-[2,5-bis[[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxy]phenyl]decyl]-4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxyphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate
CID 23374055
3-[4-(4-methoxy-3-methylphenoxy)phenoxy]propyl 2-methylprop-2-enoate
CID 154932481
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[3,4-bis(sulfanyl)phenyl]ethyl 2-methylprop-2-enoate
CID 129175213
2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide
CID 172855401
[2-(aminomethyl)-4-[3-(aminomethyl)-4-(2-methylprop-2-enoyloxy)phenoxy]phenyl] 2-methylprop-2-enoate
CID 150202611

Frequently Asked Questions

What is the IUPAC name of hydroxy-[4-methoxy-2-[2-(2-methylprop-2-enoyloxy)ethyl]phenoxy]-oxophosphanium?
The IUPAC name of hydroxy-[4-methoxy-2-[2-(2-methylprop-2-enoyloxy)ethyl]phenoxy]-oxophosphanium (CID 174909275) is hydroxy-[4-methoxy-2-[2-(2-methylprop-2-enoyloxy)ethyl]phenoxy]-oxophosphanium.
What is the SMILES notation for hydroxy-[4-methoxy-2-[2-(2-methylprop-2-enoyloxy)ethyl]phenoxy]-oxophosphanium?
The canonical SMILES for hydroxy-[4-methoxy-2-[2-(2-methylprop-2-enoyloxy)ethyl]phenoxy]-oxophosphanium is C=C(C)C(=O)OCCc1cc(OC)ccc1O[P+](=O)O.
What is the InChIKey of hydroxy-[4-methoxy-2-[2-(2-methylprop-2-enoyloxy)ethyl]phenoxy]-oxophosphanium?
The InChIKey is IRXFYSZGUWEKKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H15O6P/c1-9(2)13(14)18-7-6-10-8-11(17-3)4-5-12(10)19-20(15)16/h4-5,8H,1,6-7H2,2-3H3/p+1.
What are the key properties of hydroxy-[4-methoxy-2-[2-(2-methylprop-2-enoyloxy)ethyl]phenoxy]-oxophosphanium?
hydroxy-[4-methoxy-2-[2-(2-methylprop-2-enoyloxy)ethyl]phenoxy]-oxophosphanium has a molecular weight of 299.24 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[4-methoxy-2-[2-(2-methylprop-2-enoyloxy)ethyl]phenoxy]-oxophosphanium is sourced from PubChem (CID 174909275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).