[(2S)-3-hexadecoxy-2-phenylmethoxypropyl]phosphane

C26H47O2P — CID 175546290

IUPAC[(2S)-3-hexadecoxy-2-phenylmethoxypropyl]phosphane
SMILESCCCCCCCCCCCCCCCCOC[C@@H](CP)OCc1ccccc1
InChIInChI=1S/C26H47O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27-23-26(24-29)28-22-25-19-16-15-17-20-25/h15-17,19-20,26H,2-14,18,21-24,29H2,1H3/t26-/m0/s1
InChIKeyTVVKFEUTFMCSHN-SANMLTNESA-N
MW422.63 g/mol
LogP7.94
Rot. Bonds21

About [(2S)-3-hexadecoxy-2-phenylmethoxypropyl]phosphane

[(2S)-3-hexadecoxy-2-phenylmethoxypropyl]phosphane (PubChem CID 175546290) has the molecular formula C26H47O2P and a molecular weight of 422.63 g/mol. Its IUPAC name is [(2S)-3-hexadecoxy-2-phenylmethoxypropyl]phosphane.

Molecular Properties

Compound Name[(2S)-3-hexadecoxy-2-phenylmethoxypropyl]phosphane
PubChem CID175546290
Molecular FormulaC26H47O2P
Molecular Weight422.63 g/mol
Exact Mass422.33
IUPAC Name[(2S)-3-hexadecoxy-2-phenylmethoxypropyl]phosphane
SMILESCCCCCCCCCCCCCCCCOC[C@@H](CP)OCc1ccccc1
InChIInChI=1S/C26H47O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27-23-26(24-29)28-22-25-19-16-15-17-20-25/h15-17,19-20,26H,2-14,18,21-24,29H2,1H3/t26-/m0/s1
InChIKeyTVVKFEUTFMCSHN-SANMLTNESA-N
XLogP7.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.63
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(16-phenylhexadecoxy)butan-2-yloxymethylbenzene
CID 145255720
azane;hexoxymethylbenzene
CID 174805489
3-(2-phenylmethoxyoctadecoxy)propan-1-ol
CID 70438045
[(2S)-3-methoxy-2-octadecoxypropoxy]methylbenzene
CID 167022005
2-hexadecoxyethoxymethylbenzene
CID 19965709
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
(2R)-3-hexadecoxy-2-phenylmethoxypropanal
CID 71407988
1-(15-fluorohexadecoxy)pentan-2-yloxymethylbenzene
CID 155015070
1-[4-(3-hexadecoxy-2-phenylmethoxypropoxy)butyl]azepane
CID 70484915
(2S)-2-dodecoxy-3-phenylmethoxypropan-1-amine
CID 134231556

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-hexadecoxy-2-phenylmethoxypropyl]phosphane?
The IUPAC name of [(2S)-3-hexadecoxy-2-phenylmethoxypropyl]phosphane (CID 175546290) is [(2S)-3-hexadecoxy-2-phenylmethoxypropyl]phosphane.
What is the SMILES notation for [(2S)-3-hexadecoxy-2-phenylmethoxypropyl]phosphane?
The canonical SMILES for [(2S)-3-hexadecoxy-2-phenylmethoxypropyl]phosphane is CCCCCCCCCCCCCCCCOC[C@@H](CP)OCc1ccccc1.
What is the InChIKey of [(2S)-3-hexadecoxy-2-phenylmethoxypropyl]phosphane?
The InChIKey is TVVKFEUTFMCSHN-SANMLTNESA-N. The full InChI is InChI=1S/C26H47O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27-23-26(24-29)28-22-25-19-16-15-17-20-25/h15-17,19-20,26H,2-14,18,21-24,29H2,1H3/t26-/m0/s1.
What are the key properties of [(2S)-3-hexadecoxy-2-phenylmethoxypropyl]phosphane?
[(2S)-3-hexadecoxy-2-phenylmethoxypropyl]phosphane has a molecular weight of 422.63 g/mol, XLogP of 7.94, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-hexadecoxy-2-phenylmethoxypropyl]phosphane is sourced from PubChem (CID 175546290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).