bis(2-prop-2-enylphenyl) hydrogen phosphate

C18H19O4P — CID 68656699

IUPACbis(2-prop-2-enylphenyl) hydrogen phosphate
SMILESC=CCc1ccccc1OP(=O)(O)Oc1ccccc1CC=C
InChIInChI=1S/C18H19O4P/c1-3-9-15-11-5-7-13-17(15)21-23(19,20)22-18-14-8-6-12-16(18)10-4-2/h3-8,11-14H,1-2,9-10H2,(H,19,20)
InChIKeyXHRLUYWBXVQMAC-UHFFFAOYSA-N
MW330.32 g/mol
LogP4.70
Rot. Bonds8

About bis(2-prop-2-enylphenyl) hydrogen phosphate

bis(2-prop-2-enylphenyl) hydrogen phosphate (PubChem CID 68656699) has the molecular formula C18H19O4P and a molecular weight of 330.32 g/mol. Its IUPAC name is bis(2-prop-2-enylphenyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(2-prop-2-enylphenyl) hydrogen phosphate
PubChem CID68656699
Molecular FormulaC18H19O4P
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Namebis(2-prop-2-enylphenyl) hydrogen phosphate
SMILESC=CCc1ccccc1OP(=O)(O)Oc1ccccc1CC=C
InChIInChI=1S/C18H19O4P/c1-3-9-15-11-5-7-13-17(15)21-23(19,20)22-18-14-8-6-12-16(18)10-4-2/h3-8,11-14H,1-2,9-10H2,(H,19,20)
InChIKeyXHRLUYWBXVQMAC-UHFFFAOYSA-N
XLogP4.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethenyl-(2-prop-2-enylphenoxy)phosphinic acid
CID 87155476
1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene
CID 87155986
phenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate
CID 67292984
hydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 88814487
3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate
CID 70271994
[2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid
CID 87520334
(2-prop-2-enylphenyl) dihydrogen phosphate;2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
CID 87930976
CID 15477926
CID 15477926
CID 13455471
CID 13455471
(2-prop-2-enylphenyl) acetate;dihydrobromide
CID 70043796
(2-prop-2-enylphenyl) 2-oxoacetate
CID 87234163
N-cyclohexyl-2-(2-prop-2-enylphenoxy)acetamide
CID 1406994

Frequently Asked Questions

What is the IUPAC name of bis(2-prop-2-enylphenyl) hydrogen phosphate?
The IUPAC name of bis(2-prop-2-enylphenyl) hydrogen phosphate (CID 68656699) is bis(2-prop-2-enylphenyl) hydrogen phosphate.
What is the SMILES notation for bis(2-prop-2-enylphenyl) hydrogen phosphate?
The canonical SMILES for bis(2-prop-2-enylphenyl) hydrogen phosphate is C=CCc1ccccc1OP(=O)(O)Oc1ccccc1CC=C.
What is the InChIKey of bis(2-prop-2-enylphenyl) hydrogen phosphate?
The InChIKey is XHRLUYWBXVQMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19O4P/c1-3-9-15-11-5-7-13-17(15)21-23(19,20)22-18-14-8-6-12-16(18)10-4-2/h3-8,11-14H,1-2,9-10H2,(H,19,20).
What are the key properties of bis(2-prop-2-enylphenyl) hydrogen phosphate?
bis(2-prop-2-enylphenyl) hydrogen phosphate has a molecular weight of 330.32 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-prop-2-enylphenyl) hydrogen phosphate is sourced from PubChem (CID 68656699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).