3-[3-(3-hydroxy-2-phenylmethoxypropoxy)-2-phenylmethoxypropoxy]-2-phenylmethoxypropan-1-ol

C30H38O7 — CID 10505871

IUPAC3-[3-(3-hydroxy-2-phenylmethoxypropoxy)-2-phenylmethoxypropoxy]-2-phenylmethoxypropan-1-ol
SMILESOCC(COCC(COCC(CO)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C30H38O7/c31-16-28(35-18-25-10-4-1-5-11-25)21-33-23-30(37-20-27-14-8-3-9-15-27)24-34-22-29(17-32)36-19-26-12-6-2-7-13-26/h1-15,28-32H,16-24H2
InChIKeyGMAPTDPGUCKKBT-UHFFFAOYSA-N
MW510.63 g/mol
LogP3.76
Rot. Bonds19

About 3-[3-(3-hydroxy-2-phenylmethoxypropoxy)-2-phenylmethoxypropoxy]-2-phenylmethoxypropan-1-ol

3-[3-(3-hydroxy-2-phenylmethoxypropoxy)-2-phenylmethoxypropoxy]-2-phenylmethoxypropan-1-ol (PubChem CID 10505871) has the molecular formula C30H38O7 and a molecular weight of 510.63 g/mol. Its IUPAC name is 3-[3-(3-hydroxy-2-phenylmethoxypropoxy)-2-phenylmethoxypropoxy]-2-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name3-[3-(3-hydroxy-2-phenylmethoxypropoxy)-2-phenylmethoxypropoxy]-2-phenylmethoxypropan-1-ol
PubChem CID10505871
Molecular FormulaC30H38O7
Molecular Weight510.63 g/mol
Exact Mass510.26
IUPAC Name3-[3-(3-hydroxy-2-phenylmethoxypropoxy)-2-phenylmethoxypropoxy]-2-phenylmethoxypropan-1-ol
SMILESOCC(COCC(COCC(CO)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C30H38O7/c31-16-28(35-18-25-10-4-1-5-11-25)21-33-23-30(37-20-27-14-8-3-9-15-27)24-34-22-29(17-32)36-19-26-12-6-2-7-13-26/h1-15,28-32H,16-24H2
InChIKeyGMAPTDPGUCKKBT-UHFFFAOYSA-N
XLogP3.76
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.63
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydroxy-2-phenylmethoxypropoxy)-2-phenylmethoxypropoxy]-2-phenylmethoxypropan-1-ol?
The IUPAC name of 3-[3-(3-hydroxy-2-phenylmethoxypropoxy)-2-phenylmethoxypropoxy]-2-phenylmethoxypropan-1-ol (CID 10505871) is 3-[3-(3-hydroxy-2-phenylmethoxypropoxy)-2-phenylmethoxypropoxy]-2-phenylmethoxypropan-1-ol.
What is the SMILES notation for 3-[3-(3-hydroxy-2-phenylmethoxypropoxy)-2-phenylmethoxypropoxy]-2-phenylmethoxypropan-1-ol?
The canonical SMILES for 3-[3-(3-hydroxy-2-phenylmethoxypropoxy)-2-phenylmethoxypropoxy]-2-phenylmethoxypropan-1-ol is OCC(COCC(COCC(CO)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 3-[3-(3-hydroxy-2-phenylmethoxypropoxy)-2-phenylmethoxypropoxy]-2-phenylmethoxypropan-1-ol?
The InChIKey is GMAPTDPGUCKKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O7/c31-16-28(35-18-25-10-4-1-5-11-25)21-33-23-30(37-20-27-14-8-3-9-15-27)24-34-22-29(17-32)36-19-26-12-6-2-7-13-26/h1-15,28-32H,16-24H2.
What are the key properties of 3-[3-(3-hydroxy-2-phenylmethoxypropoxy)-2-phenylmethoxypropoxy]-2-phenylmethoxypropan-1-ol?
3-[3-(3-hydroxy-2-phenylmethoxypropoxy)-2-phenylmethoxypropoxy]-2-phenylmethoxypropan-1-ol has a molecular weight of 510.63 g/mol, XLogP of 3.76, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydroxy-2-phenylmethoxypropoxy)-2-phenylmethoxypropoxy]-2-phenylmethoxypropan-1-ol is sourced from PubChem (CID 10505871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).