1-[4-[hydroxy(phenoxy)phosphoryl]oxyphenyl]ethyl 2-methylprop-2-enoate

C18H19O6P — CID 141489646

IUPAC1-[4-[hydroxy(phenoxy)phosphoryl]oxyphenyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)c1ccc(OP(=O)(O)Oc2ccccc2)cc1
InChIInChI=1S/C18H19O6P/c1-13(2)18(19)22-14(3)15-9-11-17(12-10-15)24-25(20,21)23-16-7-5-4-6-8-16/h4-12,14H,1H2,2-3H3,(H,20,21)
InChIKeyLMWVNPWKOLPPLO-UHFFFAOYSA-N
MW362.32 g/mol
LogP4.43
Rot. Bonds7

About 1-[4-[hydroxy(phenoxy)phosphoryl]oxyphenyl]ethyl 2-methylprop-2-enoate

1-[4-[hydroxy(phenoxy)phosphoryl]oxyphenyl]ethyl 2-methylprop-2-enoate (PubChem CID 141489646) has the molecular formula C18H19O6P and a molecular weight of 362.32 g/mol. Its IUPAC name is 1-[4-[hydroxy(phenoxy)phosphoryl]oxyphenyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[4-[hydroxy(phenoxy)phosphoryl]oxyphenyl]ethyl 2-methylprop-2-enoate
PubChem CID141489646
Molecular FormulaC18H19O6P
Molecular Weight362.32 g/mol
Exact Mass362.09
IUPAC Name1-[4-[hydroxy(phenoxy)phosphoryl]oxyphenyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)c1ccc(OP(=O)(O)Oc2ccccc2)cc1
InChIInChI=1S/C18H19O6P/c1-13(2)18(19)22-14(3)15-9-11-17(12-10-15)24-25(20,21)23-16-7-5-4-6-8-16/h4-12,14H,1H2,2-3H3,(H,20,21)
InChIKeyLMWVNPWKOLPPLO-UHFFFAOYSA-N
XLogP4.43
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 54.43
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

ethane-1,2-diol;1-phenylethyl 2-methylprop-2-enoate
CID 22590329
(1-chloro-1-phenylpropan-2-yl) 2-methylprop-2-enoate
CID 174771336
2-methyl-4-phenylpent-2-enoic acid;1-phenylethyl 2-methylprop-2-enoate
CID 161398992
2-[hydroxy(phenoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate;phosphoric acid
CID 121347937
diphenyl hydrogen phosphate;dihydrate
CID 21115845
diphenyl hydrogen phosphate;silane
CID 175425543
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
chloroform;diphenyl hydrogen phosphate
CID 174899919
[hydroxy(phenoxy)phosphoryl] acetate
CID 10198286
2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate
CID 67577660
1-[4-[2-[4-[1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl]phenyl]propan-2-yl]phenyl]ethyl 2-methylprop-2-enoate
CID 140767993
[hydroxy-(4-propan-2-ylphenoxy)phosphoryl] benzoate
CID 175426192

Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxy(phenoxy)phosphoryl]oxyphenyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-[4-[hydroxy(phenoxy)phosphoryl]oxyphenyl]ethyl 2-methylprop-2-enoate (CID 141489646) is 1-[4-[hydroxy(phenoxy)phosphoryl]oxyphenyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[4-[hydroxy(phenoxy)phosphoryl]oxyphenyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-[4-[hydroxy(phenoxy)phosphoryl]oxyphenyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)c1ccc(OP(=O)(O)Oc2ccccc2)cc1.
What is the InChIKey of 1-[4-[hydroxy(phenoxy)phosphoryl]oxyphenyl]ethyl 2-methylprop-2-enoate?
The InChIKey is LMWVNPWKOLPPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19O6P/c1-13(2)18(19)22-14(3)15-9-11-17(12-10-15)24-25(20,21)23-16-7-5-4-6-8-16/h4-12,14H,1H2,2-3H3,(H,20,21).
What are the key properties of 1-[4-[hydroxy(phenoxy)phosphoryl]oxyphenyl]ethyl 2-methylprop-2-enoate?
1-[4-[hydroxy(phenoxy)phosphoryl]oxyphenyl]ethyl 2-methylprop-2-enoate has a molecular weight of 362.32 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxy(phenoxy)phosphoryl]oxyphenyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 141489646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).