1-diphenoxyphosphoryl-4-ethynylbenzene

C20H15O3P — CID 141456920

IUPAC1-diphenoxyphosphoryl-4-ethynylbenzene
SMILESC#Cc1ccc(P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C20H15O3P/c1-2-17-13-15-20(16-14-17)24(21,22-18-9-5-3-6-10-18)23-19-11-7-4-8-12-19/h1,3-16H
InChIKeyONVXHGNOTISKPR-UHFFFAOYSA-N
MW334.31 g/mol
LogP4.64
Rot. Bonds5

About 1-diphenoxyphosphoryl-4-ethynylbenzene

1-diphenoxyphosphoryl-4-ethynylbenzene (PubChem CID 141456920) has the molecular formula C20H15O3P and a molecular weight of 334.31 g/mol. Its IUPAC name is 1-diphenoxyphosphoryl-4-ethynylbenzene.

Molecular Properties

Compound Name1-diphenoxyphosphoryl-4-ethynylbenzene
PubChem CID141456920
Molecular FormulaC20H15O3P
Molecular Weight334.31 g/mol
Exact Mass334.08
IUPAC Name1-diphenoxyphosphoryl-4-ethynylbenzene
SMILESC#Cc1ccc(P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C20H15O3P/c1-2-17-13-15-20(16-14-17)24(21,22-18-9-5-3-6-10-18)23-19-11-7-4-8-12-19/h1,3-16H
InChIKeyONVXHGNOTISKPR-UHFFFAOYSA-N
XLogP4.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-diphenoxyphosphoryl-1,2-difluorobenzene
CID 141456915
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
(1,2-13C2)ethynylbenzene
CID 71309164
1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene
CID 141391310
phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene
CID 155046277
1-methyl-4-[(4-methylphenoxy)-(4-methylphenyl)phosphoryl]oxybenzene
CID 54463296
prop-2-ynyl diphenoxyphosphorylmethanesulfonate
CID 90310136
[4-[2-[4-[phenoxy(phenyl)phosphoryl]oxyphenyl]propan-2-yl]phenyl] diphenyl phosphate
CID 59385619
5-diphenoxyphosphoryl-1,3-benzodioxole
CID 11428171
ethynylbenzene;stibane
CID 175292724
ethynylbenzene fluoride
CID 139243604
cesium diphenyl phosphate
CID 23664598

Frequently Asked Questions

What is the IUPAC name of 1-diphenoxyphosphoryl-4-ethynylbenzene?
The IUPAC name of 1-diphenoxyphosphoryl-4-ethynylbenzene (CID 141456920) is 1-diphenoxyphosphoryl-4-ethynylbenzene.
What is the SMILES notation for 1-diphenoxyphosphoryl-4-ethynylbenzene?
The canonical SMILES for 1-diphenoxyphosphoryl-4-ethynylbenzene is C#Cc1ccc(P(=O)(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of 1-diphenoxyphosphoryl-4-ethynylbenzene?
The InChIKey is ONVXHGNOTISKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15O3P/c1-2-17-13-15-20(16-14-17)24(21,22-18-9-5-3-6-10-18)23-19-11-7-4-8-12-19/h1,3-16H.
What are the key properties of 1-diphenoxyphosphoryl-4-ethynylbenzene?
1-diphenoxyphosphoryl-4-ethynylbenzene has a molecular weight of 334.31 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenoxyphosphoryl-4-ethynylbenzene is sourced from PubChem (CID 141456920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).