2-[(2-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol

C29H52O4 — CID 171481079

IUPAC2-[(2-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol
SMILESCCCCCCCCCCCCCCCCCCOCC(CO)OCc1ccccc1OC
InChIInChI=1S/C29H52O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-32-26-28(24-30)33-25-27-21-18-19-22-29(27)31-2/h18-19,21-22,28,30H,3-17,20,23-26H2,1-2H3
InChIKeyRHWJJMWOSAUPQQ-UHFFFAOYSA-N
MW464.73 g/mol
LogP7.85
Rot. Bonds24

About 2-[(2-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol

2-[(2-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol (PubChem CID 171481079) has the molecular formula C29H52O4 and a molecular weight of 464.73 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol
PubChem CID171481079
Molecular FormulaC29H52O4
Molecular Weight464.73 g/mol
Exact Mass464.39
IUPAC Name2-[(2-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol
SMILESCCCCCCCCCCCCCCCCCCOCC(CO)OCc1ccccc1OC
InChIInChI=1S/C29H52O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-32-26-28(24-30)33-25-27-21-18-19-22-29(27)31-2/h18-19,21-22,28,30H,3-17,20,23-26H2,1-2H3
InChIKeyRHWJJMWOSAUPQQ-UHFFFAOYSA-N
XLogP7.85
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.73
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol
CID 162685942
4-[[(2S)-1-hydroxy-3-octadecoxypropan-2-yl]oxymethyl]-2-methoxy-6-methylbenzonitrile
CID 170082022
3-hexadecoxy-2-tetradecoxypropan-1-ol
CID 57128111
(2S)-2-decoxy-3-[20-[(2S)-2-decoxy-3-hydroxypropoxy]icosoxy]propan-1-ol
CID 100932836
(2R)-3-hexadecoxy-2-octoxypropan-1-ol
CID 87800892
2,3-dihexadecoxypropan-1-ol;phosphane
CID 174353548
3-hexadecoxy-2-octadecoxypropan-1-ol;phosphane
CID 174930808
(2R)-3-hexadecoxy-2-methoxypropan-1-ol
CID 10065250
1-O-heptyl 4-O-[(2-methoxyphenyl)methyl] butanedioate
CID 91715717
(2S)-2-(2-methylpropoxy)-3-octadecoxypropan-1-ol
CID 163881476
1-methoxy-2-tetradecylbenzene
CID 69169530
(2S)-3-methoxy-2-octadecoxypropan-1-ol
CID 22837281

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol?
The IUPAC name of 2-[(2-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol (CID 171481079) is 2-[(2-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol.
What is the SMILES notation for 2-[(2-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol?
The canonical SMILES for 2-[(2-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol is CCCCCCCCCCCCCCCCCCOCC(CO)OCc1ccccc1OC.
What is the InChIKey of 2-[(2-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol?
The InChIKey is RHWJJMWOSAUPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H52O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-32-26-28(24-30)33-25-27-21-18-19-22-29(27)31-2/h18-19,21-22,28,30H,3-17,20,23-26H2,1-2H3.
What are the key properties of 2-[(2-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol?
2-[(2-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol has a molecular weight of 464.73 g/mol, XLogP of 7.85, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol is sourced from PubChem (CID 171481079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).