4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol

C22H38O4 — CID 137432163

IUPAC4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol
SMILESCCCCCCCCCC(O)CCOCCCc1ccc(O)c(OC)c1
InChIInChI=1S/C22H38O4/c1-3-4-5-6-7-8-9-12-20(23)15-17-26-16-10-11-19-13-14-21(24)22(18-19)25-2/h13-14,18,20,23-24H,3-12,15-17H2,1-2H3
InChIKeyUDJUWQOQXSQCLO-UHFFFAOYSA-N
MW366.54 g/mol
LogP5.24
Rot. Bonds16

About 4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol

4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol (PubChem CID 137432163) has the molecular formula C22H38O4 and a molecular weight of 366.54 g/mol. Its IUPAC name is 4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol
PubChem CID137432163
Molecular FormulaC22H38O4
Molecular Weight366.54 g/mol
Exact Mass366.28
IUPAC Name4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol
SMILESCCCCCCCCCC(O)CCOCCCc1ccc(O)c(OC)c1
InChIInChI=1S/C22H38O4/c1-3-4-5-6-7-8-9-12-20(23)15-17-26-16-10-11-19-13-14-21(24)22(18-19)25-2/h13-14,18,20,23-24H,3-12,15-17H2,1-2H3
InChIKeyUDJUWQOQXSQCLO-UHFFFAOYSA-N
XLogP5.24
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.54
LogP ≤ 55.24
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

4-(3-hydroxyheptyl)-2-methoxyphenol
CID 142945422
ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol
CID 156738617
(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one;(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one;(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
CID 167592723
[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-5-yl]oxidanium
CID 143193328
4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol
CID 11356573
2-methoxy-4-(tetradecoxymethyl)phenol
CID 15468909
4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
CID 71151145
(E,6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one
CID 163096599
4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol
CID 71103181
(3R,5S)-1-(3-hydroxy-4-methoxyphenyl)dodecane-3,5-diol
CID 163030522
4-(2-butoxyethoxymethyl)-2-methoxyphenol
CID 139805513
4-(butoxymethyl)-2-methoxyphenol;hydrochloride
CID 175330129

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol?
The IUPAC name of 4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol (CID 137432163) is 4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol is CCCCCCCCCC(O)CCOCCCc1ccc(O)c(OC)c1.
What is the InChIKey of 4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol?
The InChIKey is UDJUWQOQXSQCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O4/c1-3-4-5-6-7-8-9-12-20(23)15-17-26-16-10-11-19-13-14-21(24)22(18-19)25-2/h13-14,18,20,23-24H,3-12,15-17H2,1-2H3.
What are the key properties of 4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol?
4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol has a molecular weight of 366.54 g/mol, XLogP of 5.24, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol is sourced from PubChem (CID 137432163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).