1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene

C24H23O5P — CID 141391310

IUPAC1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(OP(=O)(Oc2ccc(OCC=C)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H23O5P/c1-3-18-26-20-10-14-22(15-11-20)28-30(25,24-8-6-5-7-9-24)29-23-16-12-21(13-17-23)27-19-4-2/h3-17H,1-2,18-19H2
InChIKeyMWFFJFQYMOFMEK-UHFFFAOYSA-N
MW422.42 g/mol
LogP5.79
Rot. Bonds11

About 1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene

1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene (PubChem CID 141391310) has the molecular formula C24H23O5P and a molecular weight of 422.42 g/mol. Its IUPAC name is 1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene
PubChem CID141391310
Molecular FormulaC24H23O5P
Molecular Weight422.42 g/mol
Exact Mass422.13
IUPAC Name1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(OP(=O)(Oc2ccc(OCC=C)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H23O5P/c1-3-18-26-20-10-14-22(15-11-20)28-30(25,24-8-6-5-7-9-24)29-23-16-12-21(13-17-23)27-19-4-2/h3-17H,1-2,18-19H2
InChIKeyMWFFJFQYMOFMEK-UHFFFAOYSA-N
XLogP5.79
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.42
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phosphoric acid;prop-2-enoxybenzene
CID 66665136
phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene
CID 155046277
CID 174846151
CID 174846151
oxirane;phosphoric acid;prop-2-enoxybenzene
CID 174439395
prop-2-enoic acid;prop-2-enoxybenzene
CID 174376278
phenol;4-prop-2-enoxyphenol
CID 70303777
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
2-[[4-[[4-(oxiran-2-ylmethyl)phenoxy]-phenylphosphoryl]oxyphenyl]methyl]oxirane
CID 141392945
1-diphenoxyphosphoryl-4-ethynylbenzene
CID 141456920
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
[4-[2-[4-[phenoxy(phenyl)phosphoryl]oxyphenyl]propan-2-yl]phenyl] diphenyl phosphate
CID 59385619

Frequently Asked Questions

What is the IUPAC name of 1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene?
The IUPAC name of 1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene (CID 141391310) is 1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene.
What is the SMILES notation for 1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene?
The canonical SMILES for 1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene is C=CCOc1ccc(OP(=O)(Oc2ccc(OCC=C)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene?
The InChIKey is MWFFJFQYMOFMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23O5P/c1-3-18-26-20-10-14-22(15-11-20)28-30(25,24-8-6-5-7-9-24)29-23-16-12-21(13-17-23)27-19-4-2/h3-17H,1-2,18-19H2.
What are the key properties of 1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene?
1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene has a molecular weight of 422.42 g/mol, XLogP of 5.79, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene is sourced from PubChem (CID 141391310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).