1-(dibutylphosphorylmethyl)-2-[2-[2-(dibutylphosphorylmethyl)phenoxy]ethoxy]benzene

C32H52O4P2 — CID 3107593

IUPAC1-(dibutylphosphorylmethyl)-2-[2-[2-(dibutylphosphorylmethyl)phenoxy]ethoxy]benzene
SMILESCCCCP(=O)(CCCC)Cc1ccccc1OCCOc1ccccc1CP(=O)(CCCC)CCCC
InChIInChI=1S/C32H52O4P2/c1-5-9-23-37(33,24-10-6-2)27-29-17-13-15-19-31(29)35-21-22-36-32-20-16-14-18-30(32)28-38(34,25-11-7-3)26-12-8-4/h13-20H,5-12,21-28H2,1-4H3
InChIKeyNMFXTNSMRWDSGN-UHFFFAOYSA-N
MW562.71 g/mol
LogP10.07
Rot. Bonds21

About 1-(dibutylphosphorylmethyl)-2-[2-[2-(dibutylphosphorylmethyl)phenoxy]ethoxy]benzene

1-(dibutylphosphorylmethyl)-2-[2-[2-(dibutylphosphorylmethyl)phenoxy]ethoxy]benzene (PubChem CID 3107593) has the molecular formula C32H52O4P2 and a molecular weight of 562.71 g/mol. Its IUPAC name is 1-(dibutylphosphorylmethyl)-2-[2-[2-(dibutylphosphorylmethyl)phenoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-(dibutylphosphorylmethyl)-2-[2-[2-(dibutylphosphorylmethyl)phenoxy]ethoxy]benzene
PubChem CID3107593
Molecular FormulaC32H52O4P2
Molecular Weight562.71 g/mol
Exact Mass562.33
IUPAC Name1-(dibutylphosphorylmethyl)-2-[2-[2-(dibutylphosphorylmethyl)phenoxy]ethoxy]benzene
SMILESCCCCP(=O)(CCCC)Cc1ccccc1OCCOc1ccccc1CP(=O)(CCCC)CCCC
InChIInChI=1S/C32H52O4P2/c1-5-9-23-37(33,24-10-6-2)27-29-17-13-15-19-31(29)35-21-22-36-32-20-16-14-18-30(32)28-38(34,25-11-7-3)26-12-8-4/h13-20H,5-12,21-28H2,1-4H3
InChIKeyNMFXTNSMRWDSGN-UHFFFAOYSA-N
XLogP10.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.71
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-heptoxybenzene
CID 22723794
1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene
CID 87175437
1-(2-butoxyphenyl)propan-2-one
CID 82161473
2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54801593
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
1-butyl-2-nonoxybenzene
CID 118255282
1-(bromomethyl)-2-dodecoxybenzene
CID 63534495
(2-octoxyphenyl)methanol
CID 43128604
1-(diphenylphosphorylmethyl)-2-[2-[2-[2-(diphenylphosphorylmethyl)phenoxy]ethoxy]ethoxy]benzene
CID 15821135
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
1-(3-bromopropoxy)-2-ethylbenzene
CID 43364278

Frequently Asked Questions

What is the IUPAC name of 1-(dibutylphosphorylmethyl)-2-[2-[2-(dibutylphosphorylmethyl)phenoxy]ethoxy]benzene?
The IUPAC name of 1-(dibutylphosphorylmethyl)-2-[2-[2-(dibutylphosphorylmethyl)phenoxy]ethoxy]benzene (CID 3107593) is 1-(dibutylphosphorylmethyl)-2-[2-[2-(dibutylphosphorylmethyl)phenoxy]ethoxy]benzene.
What is the SMILES notation for 1-(dibutylphosphorylmethyl)-2-[2-[2-(dibutylphosphorylmethyl)phenoxy]ethoxy]benzene?
The canonical SMILES for 1-(dibutylphosphorylmethyl)-2-[2-[2-(dibutylphosphorylmethyl)phenoxy]ethoxy]benzene is CCCCP(=O)(CCCC)Cc1ccccc1OCCOc1ccccc1CP(=O)(CCCC)CCCC.
What is the InChIKey of 1-(dibutylphosphorylmethyl)-2-[2-[2-(dibutylphosphorylmethyl)phenoxy]ethoxy]benzene?
The InChIKey is NMFXTNSMRWDSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52O4P2/c1-5-9-23-37(33,24-10-6-2)27-29-17-13-15-19-31(29)35-21-22-36-32-20-16-14-18-30(32)28-38(34,25-11-7-3)26-12-8-4/h13-20H,5-12,21-28H2,1-4H3.
What are the key properties of 1-(dibutylphosphorylmethyl)-2-[2-[2-(dibutylphosphorylmethyl)phenoxy]ethoxy]benzene?
1-(dibutylphosphorylmethyl)-2-[2-[2-(dibutylphosphorylmethyl)phenoxy]ethoxy]benzene has a molecular weight of 562.71 g/mol, XLogP of 10.07, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibutylphosphorylmethyl)-2-[2-[2-(dibutylphosphorylmethyl)phenoxy]ethoxy]benzene is sourced from PubChem (CID 3107593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).