2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol

C24H42O3 — CID 14992307

IUPAC2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol
SMILESCCCCCCCCCCCCCCc1cccc(OCC(CO)OC)c1
InChIInChI=1S/C24H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-22-17-15-18-23(19-22)27-21-24(20-25)26-2/h15,17-19,24-25H,3-14,16,20-21H2,1-2H3
InChIKeyFRXYKBZPFJAHAA-UHFFFAOYSA-N
MW378.60 g/mol
LogP6.32
Rot. Bonds18

About 2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol

2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol (PubChem CID 14992307) has the molecular formula C24H42O3 and a molecular weight of 378.60 g/mol. Its IUPAC name is 2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol
PubChem CID14992307
Molecular FormulaC24H42O3
Molecular Weight378.60 g/mol
Exact Mass378.31
IUPAC Name2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol
SMILESCCCCCCCCCCCCCCc1cccc(OCC(CO)OC)c1
InChIInChI=1S/C24H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-22-17-15-18-23(19-22)27-21-24(20-25)26-2/h15,17-19,24-25H,3-14,16,20-21H2,1-2H3
InChIKeyFRXYKBZPFJAHAA-UHFFFAOYSA-N
XLogP6.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 56.32
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

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CID 154507578
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CID 141227544
1-(3-chloro-2-methylhexoxy)-3-pentadecylbenzene
CID 173358957
(2R)-3-[12-(3-iodophenyl)dodecoxy]-2-methoxypropan-1-ol
CID 10435096
1-butyl-3-(2-propylpentoxy)benzene
CID 69097315
1-hexyl-3-propan-2-yloxybenzene
CID 159994008
4-(3-pentadecylphenoxy)butanamide
CID 22354511
1,3-di(tetradecyl)benzene
CID 91053224
(2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine
CID 70653682
1-[2-[2-hydroxy-3-[3-[(E)-pentadec-10-enyl]phenoxy]propoxy]ethoxy]-3-[3-[(E)-pentadec-10-enyl]phenoxy]propan-2-ol
CID 122523102

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol?
The IUPAC name of 2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol (CID 14992307) is 2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol.
What is the SMILES notation for 2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol?
The canonical SMILES for 2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol is CCCCCCCCCCCCCCc1cccc(OCC(CO)OC)c1.
What is the InChIKey of 2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol?
The InChIKey is FRXYKBZPFJAHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-22-17-15-18-23(19-22)27-21-24(20-25)26-2/h15,17-19,24-25H,3-14,16,20-21H2,1-2H3.
What are the key properties of 2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol?
2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol has a molecular weight of 378.60 g/mol, XLogP of 6.32, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(3-tetradecylphenoxy)propan-1-ol is sourced from PubChem (CID 14992307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).