4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol

C21H28O5 — CID 118710429

IUPAC4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol
SMILESCOC[C@H](C(C)C)C(c1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1
InChIInChI=1S/C21H28O5/c1-13(2)16(12-24-3)21(14-6-8-17(22)19(10-14)25-4)15-7-9-18(23)20(11-15)26-5/h6-11,13,16,21-23H,12H2,1-5H3/t16-/m1/s1
InChIKeyGPWGZNUXPKWZDK-MRXNPFEDSA-N
MW360.45 g/mol
LogP4.17
Rot. Bonds8

About 4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol

4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol (PubChem CID 118710429) has the molecular formula C21H28O5 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol
PubChem CID118710429
Molecular FormulaC21H28O5
Molecular Weight360.45 g/mol
Exact Mass360.19
IUPAC Name4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol
SMILESCOC[C@H](C(C)C)C(c1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1
InChIInChI=1S/C21H28O5/c1-13(2)16(12-24-3)21(14-6-8-17(22)19(10-14)25-4)15-7-9-18(23)20(11-15)26-5/h6-11,13,16,21-23H,12H2,1-5H3/t16-/m1/s1
InChIKeyGPWGZNUXPKWZDK-MRXNPFEDSA-N
XLogP4.17
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol with MolForge

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Related Compounds

4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 118710431
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol
CID 82714303
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol
CID 58361160
2-methoxy-4-(1-methylsulfanylethyl)phenol
CID 86126303
4-(1-amino-3-methylbutyl)-2-methoxyphenol
CID 112710189
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131291

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol?
The IUPAC name of 4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol (CID 118710429) is 4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol?
The canonical SMILES for 4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol is COC[C@H](C(C)C)C(c1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1.
What is the InChIKey of 4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol?
The InChIKey is GPWGZNUXPKWZDK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28O5/c1-13(2)16(12-24-3)21(14-6-8-17(22)19(10-14)25-4)15-7-9-18(23)20(11-15)26-5/h6-11,13,16,21-23H,12H2,1-5H3/t16-/m1/s1.
What are the key properties of 4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol?
4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol has a molecular weight of 360.45 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol is sourced from PubChem (CID 118710429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).