(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol

C39H56O4 — CID 14260773

IUPAC(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
SMILESCCCCCCCCCCCCCCCCOC[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C39H56O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-31-42-32-37(40)33-43-39(34-23-18-16-19-24-34,35-25-20-17-21-26-35)36-27-29-38(41-2)30-28-36/h16-21,23-30,37,40H,3-15,22,31-33H2,1-2H3/t37-/m1/s1
InChIKeyCWKNHNGHBQFPLL-DIPNUNPCSA-N
MW588.87 g/mol
LogP9.86
Rot. Bonds24

About (2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol

(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol (PubChem CID 14260773) has the molecular formula C39H56O4 and a molecular weight of 588.87 g/mol. Its IUPAC name is (2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
PubChem CID14260773
Molecular FormulaC39H56O4
Molecular Weight588.87 g/mol
Exact Mass588.42
IUPAC Name(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
SMILESCCCCCCCCCCCCCCCCOC[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C39H56O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-31-42-32-37(40)33-43-39(34-23-18-16-19-24-34,35-25-20-17-21-26-35)36-27-29-38(41-2)30-28-36/h16-21,23-30,37,40H,3-15,22,31-33H2,1-2H3/t37-/m1/s1
InChIKeyCWKNHNGHBQFPLL-DIPNUNPCSA-N
XLogP9.86
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.87
LogP ≤ 59.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[(Z)-docos-13-enoxy]propan-2-ol
CID 118667697
(2R)-1-octoxy-3-trityloxypropan-2-ol
CID 67230477
1-tetradecoxy-3-trityloxypropan-2-ol
CID 12896847
(2R)-1-icosoxy-3-trityloxypropan-2-ol
CID 67327008
(2R)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-octoxypropane-2-thiol
CID 10051358
carbamic acid;1-octadecoxy-3-trityloxypropan-2-ol
CID 71409528
[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane
CID 118667700
1-(5-dodecoxynaphthalen-1-yl)oxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
CID 19868586
[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl] octadecanoate
CID 11115011
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
S-[(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-octoxypropan-2-yl] octanethioate
CID 135587657
1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
CID 143649283

Frequently Asked Questions

What is the IUPAC name of (2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol?
The IUPAC name of (2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol (CID 14260773) is (2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol?
The canonical SMILES for (2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol is CCCCCCCCCCCCCCCCOC[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of (2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol?
The InChIKey is CWKNHNGHBQFPLL-DIPNUNPCSA-N. The full InChI is InChI=1S/C39H56O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-31-42-32-37(40)33-43-39(34-23-18-16-19-24-34,35-25-20-17-21-26-35)36-27-29-38(41-2)30-28-36/h16-21,23-30,37,40H,3-15,22,31-33H2,1-2H3/t37-/m1/s1.
What are the key properties of (2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol?
(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol has a molecular weight of 588.87 g/mol, XLogP of 9.86, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol is sourced from PubChem (CID 14260773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).