[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene

C35H40O6 — CID 57272060

IUPAC[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene
SMILESc1ccc(COCC(COCOCC(COCc2ccccc2)OCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C35H40O6/c1-5-13-30(14-6-1)21-36-25-34(40-23-32-17-9-3-10-18-32)27-38-29-39-28-35(41-24-33-19-11-4-12-20-33)26-37-22-31-15-7-2-8-16-31/h1-20,34-35H,21-29H2
InChIKeyAMBLIDMORXUYAE-UHFFFAOYSA-N
MW556.70 g/mol
LogP6.58
Rot. Bonds20

About [1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene

[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene (PubChem CID 57272060) has the molecular formula C35H40O6 and a molecular weight of 556.70 g/mol. Its IUPAC name is [1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene.

Molecular Properties

Compound Name[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene
PubChem CID57272060
Molecular FormulaC35H40O6
Molecular Weight556.70 g/mol
Exact Mass556.28
IUPAC Name[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene
SMILESc1ccc(COCC(COCOCC(COCc2ccccc2)OCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C35H40O6/c1-5-13-30(14-6-1)21-36-25-34(40-23-32-17-9-3-10-18-32)27-38-29-39-28-35(41-24-33-19-11-4-12-20-33)26-37-22-31-15-7-2-8-16-31/h1-20,34-35H,21-29H2
InChIKeyAMBLIDMORXUYAE-UHFFFAOYSA-N
XLogP6.58
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.70
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene
CID 140879389
[1-ethylsulfanyl-3-[(3-ethylsulfanyl-2-phenylmethoxypropoxy)methoxy]propan-2-yl]oxymethylbenzene
CID 56990751
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
3-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propane-1,2-diol
CID 10508688
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene
CID 139525451
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene
CID 90923147
3-ethoxy-2-phenylmethoxypropan-1-ol
CID 154048431
2-ethoxy-3-phenylmethoxypropan-1-amine
CID 63069675
1,3-dichloropropan-2-yloxymethylbenzene
CID 5155009

Frequently Asked Questions

What is the IUPAC name of [1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene?
The IUPAC name of [1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene (CID 57272060) is [1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene.
What is the SMILES notation for [1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene?
The canonical SMILES for [1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene is c1ccc(COCC(COCOCC(COCc2ccccc2)OCc2ccccc2)OCc2ccccc2)cc1.
What is the InChIKey of [1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene?
The InChIKey is AMBLIDMORXUYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40O6/c1-5-13-30(14-6-1)21-36-25-34(40-23-32-17-9-3-10-18-32)27-38-29-39-28-35(41-24-33-19-11-4-12-20-33)26-37-22-31-15-7-2-8-16-31/h1-20,34-35H,21-29H2.
What are the key properties of [1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene?
[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene has a molecular weight of 556.70 g/mol, XLogP of 6.58, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene is sourced from PubChem (CID 57272060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).