3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol

C148H170O31 — CID 101206385

IUPAC3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol
SMILESOCC(COCC(COCC(COC(COc1ccccc1)COc1ccccc1)COC(COc1ccccc1)COc1ccccc1)COCC(COC(COc1ccccc1)COc1ccccc1)COC(COc1ccccc1)COc1ccccc1)COCC(COCC(COC(COc1ccccc1)COc1ccccc1)COC(COc1ccccc1)COc1ccccc1)COCC(COC(COc1ccccc1)COc1ccccc1)COC(COc1ccccc1)COc1ccccc1
InChIInChI=1S/C148H170O31/c149-81-118(82-150-84-119(86-152-90-121(94-156-141(102-164-125-49-17-1-18-50-125)103-165-126-51-19-2-20-52-126)95-157-142(104-166-127-53-21-3-22-54-127)105-167-128-55-23-4-24-56-128)87-153-91-122(96-158-143(106-168-129-57-25-5-26-58-129)107-169-130-59-27-6-28-60-130)97-159-144(108-170-131-61-29-7-30-62-131)109-171-132-63-31-8-32-64-132)83-151-85-120(88-154-92-123(98-160-145(110-172-133-65-33-9-34-66-133)111-173-134-67-35-10-36-68-134)99-161-146(112-174-135-69-37-11-38-70-135)113-175-136-71-39-12-40-72-136)89-155-93-124(100-162-147(114-176-137-73-41-13-42-74-137)115-177-138-75-43-14-44-76-138)101-163-148(116-178-139-77-45-15-46-78-139)117-179-140-79-47-16-48-80-140/h1-80,118-124,141-149H,81-117H2
InChIKeyPYQLRJPDYBGGJP-UHFFFAOYSA-N
MW2444.96 g/mol
LogP24.74
Rot. Bonds97

About 3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol

3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol (PubChem CID 101206385) has the molecular formula C148H170O31 and a molecular weight of 2444.96 g/mol. Its IUPAC name is 3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol
PubChem CID101206385
Molecular FormulaC148H170O31
Molecular Weight2444.96 g/mol
Exact Mass2443.17
IUPAC Name3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol
SMILESOCC(COCC(COCC(COC(COc1ccccc1)COc1ccccc1)COC(COc1ccccc1)COc1ccccc1)COCC(COC(COc1ccccc1)COc1ccccc1)COC(COc1ccccc1)COc1ccccc1)COCC(COCC(COC(COc1ccccc1)COc1ccccc1)COC(COc1ccccc1)COc1ccccc1)COCC(COC(COc1ccccc1)COc1ccccc1)COC(COc1ccccc1)COc1ccccc1
InChIInChI=1S/C148H170O31/c149-81-118(82-150-84-119(86-152-90-121(94-156-141(102-164-125-49-17-1-18-50-125)103-165-126-51-19-2-20-52-126)95-157-142(104-166-127-53-21-3-22-54-127)105-167-128-55-23-4-24-56-128)87-153-91-122(96-158-143(106-168-129-57-25-5-26-58-129)107-169-130-59-27-6-28-60-130)97-159-144(108-170-131-61-29-7-30-62-131)109-171-132-63-31-8-32-64-132)83-151-85-120(88-154-92-123(98-160-145(110-172-133-65-33-9-34-66-133)111-173-134-67-35-10-36-68-134)99-161-146(112-174-135-69-37-11-38-70-135)113-175-136-71-39-12-40-72-136)89-155-93-124(100-162-147(114-176-137-73-41-13-42-74-137)115-177-138-75-43-14-44-76-138)101-163-148(116-178-139-77-45-15-46-78-139)117-179-140-79-47-16-48-80-140/h1-80,118-124,141-149H,81-117H2
InChIKeyPYQLRJPDYBGGJP-UHFFFAOYSA-N
XLogP24.74
TPSA297.13 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds97
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002444.96
LogP ≤ 524.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Analyze 3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol with MolForge

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Related Compounds

3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
2-(phenoxymethyl)pent-4-en-1-ol
CID 15525340
actinium;3-phenoxypropane-1,2-diol
CID 22981458
[(2R)-1-hydroxy-3-phenoxypropan-2-yl] hydrogen sulfate
CID 162928579
1-[1-[3-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-phenoxypropoxy]phenoxy]-3-phenoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol
CID 164786169
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
3-methyl-2-(phenoxymethyl)butan-1-ol
CID 15214280
2-[1-[1-[1-[1-[1-(benzenesulfonyl)-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethanol
CID 154599773
2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide
CID 67700058
3-methoxy-2-phenoxypropan-1-ol
CID 154118183
(2R,3S)-1-phenoxybutane-2,3-diol
CID 91247113

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol?
The IUPAC name of 3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol (CID 101206385) is 3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol.
What is the SMILES notation for 3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol?
The canonical SMILES for 3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol is OCC(COCC(COCC(COC(COc1ccccc1)COc1ccccc1)COC(COc1ccccc1)COc1ccccc1)COCC(COC(COc1ccccc1)COc1ccccc1)COC(COc1ccccc1)COc1ccccc1)COCC(COCC(COC(COc1ccccc1)COc1ccccc1)COC(COc1ccccc1)COc1ccccc1)COCC(COC(COc1ccccc1)COc1ccccc1)COC(COc1ccccc1)COc1ccccc1.
What is the InChIKey of 3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol?
The InChIKey is PYQLRJPDYBGGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C148H170O31/c149-81-118(82-150-84-119(86-152-90-121(94-156-141(102-164-125-49-17-1-18-50-125)103-165-126-51-19-2-20-52-126)95-157-142(104-166-127-53-21-3-22-54-127)105-167-128-55-23-4-24-56-128)87-153-91-122(96-158-143(106-168-129-57-25-5-26-58-129)107-169-130-59-27-6-28-60-130)97-159-144(108-170-131-61-29-7-30-62-131)109-171-132-63-31-8-32-64-132)83-151-85-120(88-154-92-123(98-160-145(110-172-133-65-33-9-34-66-133)111-173-134-67-35-10-36-68-134)99-161-146(112-174-135-69-37-11-38-70-135)113-175-136-71-39-12-40-72-136)89-155-93-124(100-162-147(114-176-137-73-41-13-42-74-137)115-177-138-75-43-14-44-76-138)101-163-148(116-178-139-77-45-15-46-78-139)117-179-140-79-47-16-48-80-140/h1-80,118-124,141-149H,81-117H2.
What are the key properties of 3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol?
3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol has a molecular weight of 2444.96 g/mol, XLogP of 24.74, 97 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol is sourced from PubChem (CID 101206385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).