2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol

C23H30O5 — CID 171850384

IUPAC2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol
SMILESC=CCOCC(COCC(CO)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H30O5/c1-2-13-25-18-23(28-16-21-11-7-4-8-12-21)19-26-17-22(14-24)27-15-20-9-5-3-6-10-20/h2-12,22-24H,1,13-19H2
InChIKeyVVTXIPIRKPCIOJ-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.37
Rot. Bonds15

About 2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol

2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol (PubChem CID 171850384) has the molecular formula C23H30O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is 2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol.

Molecular Properties

Compound Name2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol
PubChem CID171850384
Molecular FormulaC23H30O5
Molecular Weight386.49 g/mol
Exact Mass386.21
IUPAC Name2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol
SMILESC=CCOCC(COCC(CO)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H30O5/c1-2-13-25-18-23(28-16-21-11-7-4-8-12-21)19-26-17-22(14-24)27-15-20-9-5-3-6-10-20/h2-12,22-24H,1,13-19H2
InChIKeyVVTXIPIRKPCIOJ-UHFFFAOYSA-N
XLogP3.37
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-2-phenylmethoxypropan-1-ol
CID 154048431
3-chloro-2-phenylmethoxypropan-1-ol
CID 13356685
(2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol
CID 162458936
(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
CID 11831604
1-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-phenylmethoxypropoxy]-3-[2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
CID 177177408
[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene
CID 57272060
(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal
CID 100963665
(3R)-3-phenylmethoxyhept-6-en-1-ol
CID 70676356
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
4-methyl-2-phenylmethoxypentan-1-ol
CID 53397722
3-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propane-1,2-diol
CID 10508688

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol?
The IUPAC name of 2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol (CID 171850384) is 2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol.
What is the SMILES notation for 2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol?
The canonical SMILES for 2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol is C=CCOCC(COCC(CO)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol?
The InChIKey is VVTXIPIRKPCIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O5/c1-2-13-25-18-23(28-16-21-11-7-4-8-12-21)19-26-17-22(14-24)27-15-20-9-5-3-6-10-20/h2-12,22-24H,1,13-19H2.
What are the key properties of 2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol?
2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol has a molecular weight of 386.49 g/mol, XLogP of 3.37, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol is sourced from PubChem (CID 171850384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).