ethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate

C12H17O6P — CID 70555588

IUPACethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1.CCOP(=O)(O)O
InChIInChI=1S/C10H10O2.C2H7O4P/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-2-6-7(3,4)5/h3-7H,1H2,2H3;2H2,1H3,(H2,3,4,5)
InChIKeyHQOHOJYGWBCDEF-UHFFFAOYSA-N
MW288.24 g/mol
LogP2.28
Rot. Bonds4

About ethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate

ethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate (PubChem CID 70555588) has the molecular formula C12H17O6P and a molecular weight of 288.24 g/mol. Its IUPAC name is ethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate
PubChem CID70555588
Molecular FormulaC12H17O6P
Molecular Weight288.24 g/mol
Exact Mass288.08
IUPAC Nameethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1.CCOP(=O)(O)O
InChIInChI=1S/C10H10O2.C2H7O4P/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-2-6-7(3,4)5/h3-7H,1H2,2H3;2H2,1H3,(H2,3,4,5)
InChIKeyHQOHOJYGWBCDEF-UHFFFAOYSA-N
XLogP2.28
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
phenyl 2-methylprop-2-enoate;styrene
CID 22227486
2-ethoxyethyl 2-methylprop-2-enoate;phenyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 175311006
[2-[[2-(2-methylprop-2-enoyloxy)phenoxy]-propoxyphosphoryl]oxyphenyl] 2-methylprop-2-enoate
CID 161072702
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667
[4-[4-(N-phenylanilino)phenoxy]phenyl] 2-methylprop-2-enoate
CID 58800606
[4-[4-[N-[4-[4-[N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl] 2-methylprop-2-enoate
CID 58520075
[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate
CID 19076921
[4-[4-(2-methylprop-2-enoyloxy)phenoxy]phenyl]-diphenylsulfanium
CID 154009554

Frequently Asked Questions

What is the IUPAC name of ethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate?
The IUPAC name of ethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate (CID 70555588) is ethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate.
What is the SMILES notation for ethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate?
The canonical SMILES for ethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccccc1.CCOP(=O)(O)O.
What is the InChIKey of ethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate?
The InChIKey is HQOHOJYGWBCDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.C2H7O4P/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-2-6-7(3,4)5/h3-7H,1H2,2H3;2H2,1H3,(H2,3,4,5).
What are the key properties of ethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate?
ethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate has a molecular weight of 288.24 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate is sourced from PubChem (CID 70555588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).