1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene

C32H43O3P — CID 87672742

IUPAC1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene
SMILESCCCCc1cccc(P(=O)(Oc2ccccc2CCC)Oc2ccccc2CCC)c1CCCC
InChIInChI=1S/C32H43O3P/c1-5-9-18-26-21-15-25-32(29(26)22-10-6-2)36(33,34-30-23-13-11-19-27(30)16-7-3)35-31-24-14-12-20-28(31)17-8-4/h11-15,19-21,23-25H,5-10,16-18,22H2,1-4H3
InChIKeyNASMZOZSXJAKHB-UHFFFAOYSA-N
MW506.67 g/mol
LogP9.25
Rot. Bonds15

About 1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene

1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene (PubChem CID 87672742) has the molecular formula C32H43O3P and a molecular weight of 506.67 g/mol. Its IUPAC name is 1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene.

Molecular Properties

Compound Name1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene
PubChem CID87672742
Molecular FormulaC32H43O3P
Molecular Weight506.67 g/mol
Exact Mass506.29
IUPAC Name1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene
SMILESCCCCc1cccc(P(=O)(Oc2ccccc2CCC)Oc2ccccc2CCC)c1CCCC
InChIInChI=1S/C32H43O3P/c1-5-9-18-26-21-15-25-32(29(26)22-10-6-2)36(33,34-30-23-13-11-19-27(30)16-7-3)35-31-24-14-12-20-28(31)17-8-4/h11-15,19-21,23-25H,5-10,16-18,22H2,1-4H3
InChIKeyNASMZOZSXJAKHB-UHFFFAOYSA-N
XLogP9.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.67
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene
CID 141046812
1,2-dibutyl-3-dipropoxyphosphorylbenzene
CID 87672568
bis(bis(2-butylphenyl) phosphate);nickel(2+)
CID 88827321
(2-nonylphenyl) bis(2-octylphenyl) phosphate
CID 71349653
(2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid
CID 87674082
bis(2-hexylphenyl) hydrogen phosphate
CID 14671068
(2-nonadecylphenyl) dihydrogen phosphate
CID 122612109
(2-nonylphenyl) dihydrogen phosphate
CID 14048761
(2-butylphenyl) phenyl phosphate
CID 18924623
2-butyl-1-octyl-3-propylbenzene
CID 141216645
dialuminum;tris((2-nonylphenyl) phosphate)
CID 173352283
bis(2-heptylphenyl) phosphate;zinc
CID 140565321

Frequently Asked Questions

What is the IUPAC name of 1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene?
The IUPAC name of 1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene (CID 87672742) is 1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene.
What is the SMILES notation for 1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene?
The canonical SMILES for 1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene is CCCCc1cccc(P(=O)(Oc2ccccc2CCC)Oc2ccccc2CCC)c1CCCC.
What is the InChIKey of 1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene?
The InChIKey is NASMZOZSXJAKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43O3P/c1-5-9-18-26-21-15-25-32(29(26)22-10-6-2)36(33,34-30-23-13-11-19-27(30)16-7-3)35-31-24-14-12-20-28(31)17-8-4/h11-15,19-21,23-25H,5-10,16-18,22H2,1-4H3.
What are the key properties of 1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene?
1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene has a molecular weight of 506.67 g/mol, XLogP of 9.25, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene is sourced from PubChem (CID 87672742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).