[2,4-bis(phenylmethoxy)phenyl]phosphanylidene-(2,4,6-trimethylphenyl)methanolate

C30H28O3P- — CID 141015873

IUPAC[2,4-bis(phenylmethoxy)phenyl]phosphanylidene-(2,4,6-trimethylphenyl)methanolate
SMILESCc1cc(C)c(/C([O-])=P/c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(C)c1
InChIInChI=1S/C30H29O3P/c1-21-16-22(2)29(23(3)17-21)30(31)34-28-15-14-26(32-19-24-10-6-4-7-11-24)18-27(28)33-20-25-12-8-5-9-13-25/h4-18,31H,19-20H2,1-3H3/p-1
InChIKeyDZAVFOGODATPJA-UHFFFAOYSA-M
MW467.53 g/mol
LogP5.88
Rot. Bonds8

About [2,4-bis(phenylmethoxy)phenyl]phosphanylidene-(2,4,6-trimethylphenyl)methanolate

[2,4-bis(phenylmethoxy)phenyl]phosphanylidene-(2,4,6-trimethylphenyl)methanolate (PubChem CID 141015873) has the molecular formula C30H28O3P- and a molecular weight of 467.53 g/mol. Its IUPAC name is [2,4-bis(phenylmethoxy)phenyl]phosphanylidene-(2,4,6-trimethylphenyl)methanolate.

Molecular Properties

Compound Name[2,4-bis(phenylmethoxy)phenyl]phosphanylidene-(2,4,6-trimethylphenyl)methanolate
PubChem CID141015873
Molecular FormulaC30H28O3P-
Molecular Weight467.53 g/mol
Exact Mass467.18
IUPAC Name[2,4-bis(phenylmethoxy)phenyl]phosphanylidene-(2,4,6-trimethylphenyl)methanolate
SMILESCc1cc(C)c(/C([O-])=P/c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(C)c1
InChIInChI=1S/C30H29O3P/c1-21-16-22(2)29(23(3)17-21)30(31)34-28-15-14-26(32-19-24-10-6-4-7-11-24)18-27(28)33-20-25-12-8-5-9-13-25/h4-18,31H,19-20H2,1-3H3/p-1
InChIKeyDZAVFOGODATPJA-UHFFFAOYSA-M
XLogP5.88
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 55.88
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

lithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide
CID 141015872
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
2,4-bis(phenylmethoxy)-1-prop-1-en-2-ylbenzene
CID 24773359
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514044
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone
CID 18514058
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
(2-methyl-4-phenylmethoxyphenoxy)boronic acid
CID 142688338
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(phenylmethoxy)phenyl]phosphanylidene-(2,4,6-trimethylphenyl)methanolate?
The IUPAC name of [2,4-bis(phenylmethoxy)phenyl]phosphanylidene-(2,4,6-trimethylphenyl)methanolate (CID 141015873) is [2,4-bis(phenylmethoxy)phenyl]phosphanylidene-(2,4,6-trimethylphenyl)methanolate.
What is the SMILES notation for [2,4-bis(phenylmethoxy)phenyl]phosphanylidene-(2,4,6-trimethylphenyl)methanolate?
The canonical SMILES for [2,4-bis(phenylmethoxy)phenyl]phosphanylidene-(2,4,6-trimethylphenyl)methanolate is Cc1cc(C)c(/C([O-])=P/c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(C)c1.
What is the InChIKey of [2,4-bis(phenylmethoxy)phenyl]phosphanylidene-(2,4,6-trimethylphenyl)methanolate?
The InChIKey is DZAVFOGODATPJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H29O3P/c1-21-16-22(2)29(23(3)17-21)30(31)34-28-15-14-26(32-19-24-10-6-4-7-11-24)18-27(28)33-20-25-12-8-5-9-13-25/h4-18,31H,19-20H2,1-3H3/p-1.
What are the key properties of [2,4-bis(phenylmethoxy)phenyl]phosphanylidene-(2,4,6-trimethylphenyl)methanolate?
[2,4-bis(phenylmethoxy)phenyl]phosphanylidene-(2,4,6-trimethylphenyl)methanolate has a molecular weight of 467.53 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(phenylmethoxy)phenyl]phosphanylidene-(2,4,6-trimethylphenyl)methanolate is sourced from PubChem (CID 141015873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).