1-(3-phenyl-1-tetradecoxypropoxy)propan-2-ol

C26H46O3 — CID 70586721

IUPAC1-(3-phenyl-1-tetradecoxypropoxy)propan-2-ol
SMILESCCCCCCCCCCCCCCOC(CCc1ccccc1)OCC(C)O
InChIInChI=1S/C26H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-22-28-26(29-23-24(2)27)21-20-25-18-15-14-16-19-25/h14-16,18-19,24,26-27H,3-13,17,20-23H2,1-2H3
InChIKeyXWMQSQXSRAWAQN-UHFFFAOYSA-N
MW406.65 g/mol
LogP7.06
Rot. Bonds20

About 1-(3-phenyl-1-tetradecoxypropoxy)propan-2-ol

1-(3-phenyl-1-tetradecoxypropoxy)propan-2-ol (PubChem CID 70586721) has the molecular formula C26H46O3 and a molecular weight of 406.65 g/mol. Its IUPAC name is 1-(3-phenyl-1-tetradecoxypropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-phenyl-1-tetradecoxypropoxy)propan-2-ol
PubChem CID70586721
Molecular FormulaC26H46O3
Molecular Weight406.65 g/mol
Exact Mass406.34
IUPAC Name1-(3-phenyl-1-tetradecoxypropoxy)propan-2-ol
SMILESCCCCCCCCCCCCCCOC(CCc1ccccc1)OCC(C)O
InChIInChI=1S/C26H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-22-28-26(29-23-24(2)27)21-20-25-18-15-14-16-19-25/h14-16,18-19,24,26-27H,3-13,17,20-23H2,1-2H3
InChIKeyXWMQSQXSRAWAQN-UHFFFAOYSA-N
XLogP7.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.65
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,2-di(undecoxy)ethylbenzene
CID 3023162
2-(9-phenylnonoxy)-1-sulfanylpentadecan-1-ol
CID 21264631
3-[3,3-di(nonoxy)propyl]benzene-1,2-diol
CID 154435260
1-heptoxy-1-phenylmethoxypropan-2-ol
CID 70426834
6-propan-2-yloxyhexylbenzene
CID 57124523
2-(1-butoxypropoxy)ethylbenzene
CID 71445945
octyl 2-amino-4-phenylbutanoate
CID 3071082
heptyl (2S)-2-amino-4-phenylbutanoate
CID 104983534
1-phenylmethoxydecan-1-ol
CID 152749890
1-hexoxy-3-naphthalen-1-ylpropan-1-ol
CID 54384522
CID 160630043
CID 160630043
nonoxy(phenyl)methanol
CID 70405769

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-1-tetradecoxypropoxy)propan-2-ol?
The IUPAC name of 1-(3-phenyl-1-tetradecoxypropoxy)propan-2-ol (CID 70586721) is 1-(3-phenyl-1-tetradecoxypropoxy)propan-2-ol.
What is the SMILES notation for 1-(3-phenyl-1-tetradecoxypropoxy)propan-2-ol?
The canonical SMILES for 1-(3-phenyl-1-tetradecoxypropoxy)propan-2-ol is CCCCCCCCCCCCCCOC(CCc1ccccc1)OCC(C)O.
What is the InChIKey of 1-(3-phenyl-1-tetradecoxypropoxy)propan-2-ol?
The InChIKey is XWMQSQXSRAWAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-22-28-26(29-23-24(2)27)21-20-25-18-15-14-16-19-25/h14-16,18-19,24,26-27H,3-13,17,20-23H2,1-2H3.
What are the key properties of 1-(3-phenyl-1-tetradecoxypropoxy)propan-2-ol?
1-(3-phenyl-1-tetradecoxypropoxy)propan-2-ol has a molecular weight of 406.65 g/mol, XLogP of 7.06, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1-tetradecoxypropoxy)propan-2-ol is sourced from PubChem (CID 70586721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).