4-[2-butoxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyphenol

C20H26O5 — CID 90101577

IUPAC4-[2-butoxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyphenol
SMILESCCCCOC(Cc1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1
InChIInChI=1S/C20H26O5/c1-4-5-10-25-18(15-7-9-17(22)20(13-15)24-3)11-14-6-8-16(21)19(12-14)23-2/h6-9,12-13,18,21-22H,4-5,10-11H2,1-3H3
InChIKeyYAMAXITYKGHYBF-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.22
Rot. Bonds9

About 4-[2-butoxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyphenol

4-[2-butoxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyphenol (PubChem CID 90101577) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is 4-[2-butoxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-butoxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyphenol
PubChem CID90101577
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name4-[2-butoxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyphenol
SMILESCCCCOC(Cc1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1
InChIInChI=1S/C20H26O5/c1-4-5-10-25-18(15-7-9-17(22)20(13-15)24-3)11-14-6-8-16(21)19(12-14)23-2/h6-9,12-13,18,21-22H,4-5,10-11H2,1-3H3
InChIKeyYAMAXITYKGHYBF-UHFFFAOYSA-N
XLogP4.22
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-butoxy-3-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol
CID 177399566
4-(butoxymethyl)-2-methoxyphenol;hydrochloride
CID 175330129
4-(2-butoxyethoxymethyl)-2-methoxyphenol
CID 139805513
4-(butoxymethyl)-2-methoxyphenol;ethanol
CID 66730782
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
4-hexan-2-yl-2-methoxyphenol
CID 10285881
4-(1-hydroxyheptyl)-2-methoxyphenol
CID 14035097
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
4-butoxy-2-methoxyphenol
CID 53249740
5-[4-(4-hydroxy-3-methoxyphenyl)-3-methylbutan-2-yl]-3-methoxybenzene-1,2-diol
CID 76535667
4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
CID 71151145
2-methoxy-4-(tetradecoxymethyl)phenol
CID 15468909

Frequently Asked Questions

What is the IUPAC name of 4-[2-butoxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[2-butoxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyphenol (CID 90101577) is 4-[2-butoxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[2-butoxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[2-butoxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyphenol is CCCCOC(Cc1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1.
What is the InChIKey of 4-[2-butoxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyphenol?
The InChIKey is YAMAXITYKGHYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5/c1-4-5-10-25-18(15-7-9-17(22)20(13-15)24-3)11-14-6-8-16(21)19(12-14)23-2/h6-9,12-13,18,21-22H,4-5,10-11H2,1-3H3.
What are the key properties of 4-[2-butoxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyphenol?
4-[2-butoxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyphenol has a molecular weight of 346.42 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-butoxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyphenol is sourced from PubChem (CID 90101577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).