[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane

C44H67O5P — CID 118667700

IUPAC[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane
SMILESCCCCCCCCCCCCCCCCCCOCC(COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)OP(C)C
InChIInChI=1S/C44H67O5P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-35-47-36-43(49-50(4)5)37-48-44(38-25-22-21-23-26-38,39-27-31-41(45-2)32-28-39)40-29-33-42(46-3)34-30-40/h21-23,25-34,43H,6-20,24,35-37H2,1-5H3
InChIKeyUKELUOYZCBKDAM-UHFFFAOYSA-N
MW706.99 g/mol
LogP12.33
Rot. Bonds29

About [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane

[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane (PubChem CID 118667700) has the molecular formula C44H67O5P and a molecular weight of 706.99 g/mol. Its IUPAC name is [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane.

Molecular Properties

Compound Name[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane
PubChem CID118667700
Molecular FormulaC44H67O5P
Molecular Weight706.99 g/mol
Exact Mass706.47
IUPAC Name[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane
SMILESCCCCCCCCCCCCCCCCCCOCC(COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)OP(C)C
InChIInChI=1S/C44H67O5P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-35-47-36-43(49-50(4)5)37-48-44(38-25-22-21-23-26-38,39-27-31-41(45-2)32-28-39)40-29-33-42(46-3)34-30-40/h21-23,25-34,43H,6-20,24,35-37H2,1-5H3
InChIKeyUKELUOYZCBKDAM-UHFFFAOYSA-N
XLogP12.33
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds29
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.99
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-octoxypropane-2-thiol
CID 10051358
(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
CID 14260773
1-[2,3-bis[(9Z,12Z)-octadeca-9,12-dienoxy]propoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 68663211
[(3-octadecoxy-2-phenoxypropoxy)-diphenylmethyl]benzene
CID 154476961
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[(Z)-docos-13-enoxy]propan-2-ol
CID 118667697
S-[(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-octoxypropan-2-yl] octanethioate
CID 135587657
1-[(2-decoxy-3-dodecylsulfanylpropoxy)-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 59819529
methyl (1-octadecoxy-3-trityloxypropan-2-yl) carbonate
CID 70521222
1-[[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(5-bromopentoxy)propoxy]-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 139633696
S-[(2S)-1-hexoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-yl] 4-methylpentanethioate
CID 135574414
(2R)-1-octoxy-3-trityloxypropan-2-ol
CID 67230477

Frequently Asked Questions

What is the IUPAC name of [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane?
The IUPAC name of [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane (CID 118667700) is [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane.
What is the SMILES notation for [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane?
The canonical SMILES for [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane is CCCCCCCCCCCCCCCCCCOCC(COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)OP(C)C.
What is the InChIKey of [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane?
The InChIKey is UKELUOYZCBKDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H67O5P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-35-47-36-43(49-50(4)5)37-48-44(38-25-22-21-23-26-38,39-27-31-41(45-2)32-28-39)40-29-33-42(46-3)34-30-40/h21-23,25-34,43H,6-20,24,35-37H2,1-5H3.
What are the key properties of [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane?
[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane has a molecular weight of 706.99 g/mol, XLogP of 12.33, 29 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane is sourced from PubChem (CID 118667700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).