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

C12H18O4 — CID 11356573

IUPAC4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol
SMILESCOc1cc(CCCOCCO)ccc1O
InChIInChI=1S/C12H18O4/c1-15-12-9-10(4-5-11(12)14)3-2-7-16-8-6-13/h4-5,9,13-14H,2-3,6-8H2,1H3
InChIKeyWVXVEYCAYDVCBR-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.34
Rot. Bonds7

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

4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol (PubChem CID 11356573) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol
PubChem CID11356573
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol
SMILESCOc1cc(CCCOCCO)ccc1O
InChIInChI=1S/C12H18O4/c1-15-12-9-10(4-5-11(12)14)3-2-7-16-8-6-13/h4-5,9,13-14H,2-3,6-8H2,1H3
InChIKeyWVXVEYCAYDVCBR-UHFFFAOYSA-N
XLogP1.34
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.34
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

2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol
CID 11978505
4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
CID 71151145
4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol
CID 137432163
4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane
CID 66600810
4-(2-butoxyethoxymethyl)-2-methoxyphenol
CID 139805513
4-(butoxymethyl)-2-methoxyphenol;ethanol
CID 66730782
4-(4-hydroxy-3-methoxyphenyl)butanenitrile
CID 53434569
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
ethane;2-methoxy-4-propylphenol
CID 144852330
4-[3-[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethyl-λ4-sulfanyl]oxypropyl]-2-methoxyphenol;methylsulfanylmethane
CID 143642208
1-butoxybutane;4-(hydroxymethyl)-2-methoxyphenol;phosphoric acid
CID 69028004
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol?
The IUPAC name of 4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol (CID 11356573) is 4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol is COc1cc(CCCOCCO)ccc1O.
What is the InChIKey of 4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol?
The InChIKey is WVXVEYCAYDVCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-15-12-9-10(4-5-11(12)14)3-2-7-16-8-6-13/h4-5,9,13-14H,2-3,6-8H2,1H3.
What are the key properties of 4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol?
4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol has a molecular weight of 226.27 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol is sourced from PubChem (CID 11356573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).