3-(2-ethyl-4-tetradecylphenoxy)-2-phenylmethoxypropan-1-ol

C32H50O3 — CID 14256198

IUPAC3-(2-ethyl-4-tetradecylphenoxy)-2-phenylmethoxypropan-1-ol
SMILESCCCCCCCCCCCCCCc1ccc(OCC(CO)OCc2ccccc2)c(CC)c1
InChIInChI=1S/C32H50O3/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-28-22-23-32(30(4-2)24-28)35-27-31(25-33)34-26-29-20-17-15-18-21-29/h15,17-18,20-24,31,33H,3-14,16,19,25-27H2,1-2H3
InChIKeyKEJRZHSTOQKNSK-UHFFFAOYSA-N
MW482.75 g/mol
LogP8.45
Rot. Bonds21

About 3-(2-ethyl-4-tetradecylphenoxy)-2-phenylmethoxypropan-1-ol

3-(2-ethyl-4-tetradecylphenoxy)-2-phenylmethoxypropan-1-ol (PubChem CID 14256198) has the molecular formula C32H50O3 and a molecular weight of 482.75 g/mol. Its IUPAC name is 3-(2-ethyl-4-tetradecylphenoxy)-2-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name3-(2-ethyl-4-tetradecylphenoxy)-2-phenylmethoxypropan-1-ol
PubChem CID14256198
Molecular FormulaC32H50O3
Molecular Weight482.75 g/mol
Exact Mass482.38
IUPAC Name3-(2-ethyl-4-tetradecylphenoxy)-2-phenylmethoxypropan-1-ol
SMILESCCCCCCCCCCCCCCc1ccc(OCC(CO)OCc2ccccc2)c(CC)c1
InChIInChI=1S/C32H50O3/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-28-22-23-32(30(4-2)24-28)35-27-31(25-33)34-26-29-20-17-15-18-21-29/h15,17-18,20-24,31,33H,3-14,16,19,25-27H2,1-2H3
InChIKeyKEJRZHSTOQKNSK-UHFFFAOYSA-N
XLogP8.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.75
LogP ≤ 58.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethyl-5-tetradecylphenoxy)-2-phenylmethoxypropan-1-ol
CID 14819682
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
3-ethoxy-2-phenylmethoxypropan-1-ol
CID 154048431
(4-hexyl-2-phenylphenyl) hydrogen carbonate
CID 66629329
2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol
CID 14992307
3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol
CID 70144732
4-phenylmethoxynonadecan-1-ol
CID 15735676
3-(2-phenylmethoxyhexadecoxy)propane-1,2-diol
CID 23238760
[2-(2-ethylhexyl)-4-nonylphenyl] hydrogen carbonate
CID 150283154
4-(2,4-dioctylphenoxy)butane-2-sulfonic acid
CID 101315765
(2S)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol
CID 162685942
(2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol
CID 162458936

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-4-tetradecylphenoxy)-2-phenylmethoxypropan-1-ol?
The IUPAC name of 3-(2-ethyl-4-tetradecylphenoxy)-2-phenylmethoxypropan-1-ol (CID 14256198) is 3-(2-ethyl-4-tetradecylphenoxy)-2-phenylmethoxypropan-1-ol.
What is the SMILES notation for 3-(2-ethyl-4-tetradecylphenoxy)-2-phenylmethoxypropan-1-ol?
The canonical SMILES for 3-(2-ethyl-4-tetradecylphenoxy)-2-phenylmethoxypropan-1-ol is CCCCCCCCCCCCCCc1ccc(OCC(CO)OCc2ccccc2)c(CC)c1.
What is the InChIKey of 3-(2-ethyl-4-tetradecylphenoxy)-2-phenylmethoxypropan-1-ol?
The InChIKey is KEJRZHSTOQKNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50O3/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-28-22-23-32(30(4-2)24-28)35-27-31(25-33)34-26-29-20-17-15-18-21-29/h15,17-18,20-24,31,33H,3-14,16,19,25-27H2,1-2H3.
What are the key properties of 3-(2-ethyl-4-tetradecylphenoxy)-2-phenylmethoxypropan-1-ol?
3-(2-ethyl-4-tetradecylphenoxy)-2-phenylmethoxypropan-1-ol has a molecular weight of 482.75 g/mol, XLogP of 8.45, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-4-tetradecylphenoxy)-2-phenylmethoxypropan-1-ol is sourced from PubChem (CID 14256198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).