5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol

C20H26O5 — CID 139528672

IUPAC5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol
SMILESCOc1ccc(CC(C)OC(C)Cc2ccc(OC)c(O)c2)cc1O
InChIInChI=1S/C20H26O5/c1-13(9-15-5-7-19(23-3)17(21)11-15)25-14(2)10-16-6-8-20(24-4)18(22)12-16/h5-8,11-14,21-22H,9-10H2,1-4H3
InChIKeyLYKIOAYSWXPIFW-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.69
Rot. Bonds8

About 5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol

5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol (PubChem CID 139528672) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is 5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol
PubChem CID139528672
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol
SMILESCOc1ccc(CC(C)OC(C)Cc2ccc(OC)c(O)c2)cc1O
InChIInChI=1S/C20H26O5/c1-13(9-15-5-7-19(23-3)17(21)11-15)25-14(2)10-16-6-8-20(24-4)18(22)12-16/h5-8,11-14,21-22H,9-10H2,1-4H3
InChIKeyLYKIOAYSWXPIFW-UHFFFAOYSA-N
XLogP3.69
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-(2-methylpentyl)phenol
CID 154974152
3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal
CID 83830640
5-[(2S,3R)-4-(3-hydroxy-4-methoxyphenyl)-2,3-dimethylbutyl]-2,3-dimethoxyphenol
CID 146075484
5-[(2R)-2-(3,5-dimethoxy-4-methylphenyl)-2-hydroxyethyl]-2-methoxyphenol
CID 130324218
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
5-(aminomethyl)-2-methoxyphenol
CID 1132998
3-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83950546
2-methoxy-5-(2-piperazin-1-ylpropyl)phenol
CID 82024247
2-amino-3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 19842140
diethyl 2-[(3-hydroxy-4-methoxyphenyl)methyl]propanedioate
CID 59114437
(3-hydroxy-4-methoxyphenyl)methyl-methylazanium
CID 7298318
5-[(2R,3S)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 102322865

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol?
The IUPAC name of 5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol (CID 139528672) is 5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol.
What is the SMILES notation for 5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol?
The canonical SMILES for 5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol is COc1ccc(CC(C)OC(C)Cc2ccc(OC)c(O)c2)cc1O.
What is the InChIKey of 5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol?
The InChIKey is LYKIOAYSWXPIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5/c1-13(9-15-5-7-19(23-3)17(21)11-15)25-14(2)10-16-6-8-20(24-4)18(22)12-16/h5-8,11-14,21-22H,9-10H2,1-4H3.
What are the key properties of 5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol?
5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol has a molecular weight of 346.42 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol is sourced from PubChem (CID 139528672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).