2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol

C14H22O4 — CID 24742721

IUPAC2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol
SMILESCOc1ccc(COCCCC(CO)CO)cc1
InChIInChI=1S/C14H22O4/c1-17-14-6-4-12(5-7-14)11-18-8-2-3-13(9-15)10-16/h4-7,13,15-16H,2-3,8-11H2,1H3
InChIKeyJLWWMIQZLSXSIY-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.59
Rot. Bonds9

About 2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol

2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol (PubChem CID 24742721) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol
PubChem CID24742721
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol
SMILESCOc1ccc(COCCCC(CO)CO)cc1
InChIInChI=1S/C14H22O4/c1-17-14-6-4-12(5-7-14)11-18-8-2-3-13(9-15)10-16/h4-7,13,15-16H,2-3,8-11H2,1H3
InChIKeyJLWWMIQZLSXSIY-UHFFFAOYSA-N
XLogP1.59
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-methoxyphenyl)methoxy]-2-[3-[(4-methoxyphenyl)methoxy]propyl]pentan-1-ol
CID 11025823
(2R)-2-[(4-methoxyphenyl)methoxymethyl]hexan-1-ol
CID 101173431
(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
CID 44629947
dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate
CID 155933233
(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol
CID 11230051
2-(7-phenylmethoxyheptyl)propane-1,3-diol
CID 10612787
1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol
CID 10970441
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol?
The IUPAC name of 2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol (CID 24742721) is 2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol.
What is the SMILES notation for 2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol?
The canonical SMILES for 2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol is COc1ccc(COCCCC(CO)CO)cc1.
What is the InChIKey of 2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol?
The InChIKey is JLWWMIQZLSXSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-17-14-6-4-12(5-7-14)11-18-8-2-3-13(9-15)10-16/h4-7,13,15-16H,2-3,8-11H2,1H3.
What are the key properties of 2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol?
2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol has a molecular weight of 254.33 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol is sourced from PubChem (CID 24742721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).