2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol

C21H28O4 — CID 58863008

IUPAC2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol
SMILESCc1cc(CCCO)cc(Cc2cc(CCCO)cc(C)c2O)c1O
InChIInChI=1S/C21H28O4/c1-14-9-16(5-3-7-22)11-18(20(14)24)13-19-12-17(6-4-8-23)10-15(2)21(19)25/h9-12,22-25H,3-8,13H2,1-2H3
InChIKeyMUNCLIWHAWPHDY-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.16
Rot. Bonds8

About 2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol

2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol (PubChem CID 58863008) has the molecular formula C21H28O4 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol.

Molecular Properties

Compound Name2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol
PubChem CID58863008
Molecular FormulaC21H28O4
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol
SMILESCc1cc(CCCO)cc(Cc2cc(CCCO)cc(C)c2O)c1O
InChIInChI=1S/C21H28O4/c1-14-9-16(5-3-7-22)11-18(20(14)24)13-19-12-17(6-4-8-23)10-15(2)21(19)25/h9-12,22-25H,3-8,13H2,1-2H3
InChIKeyMUNCLIWHAWPHDY-UHFFFAOYSA-N
XLogP3.16
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethyl-2-hydroxy-5-octylphenyl)methyl]-6-methyl-4-pentylphenol
CID 20741015
3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane
CID 144566079
4-[9-(4-hydroxy-3-methyl-5-propylphenyl)nonyl]-2-methyl-6-propylphenol
CID 57052930
4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624
3-(4-amino-3,5-dimethylphenyl)propan-1-ol
CID 22472438
2-[[2-hydroxy-3-(hydroxymethyl)-5-nonylphenyl]methyl]-6-(hydroxymethyl)-4-nonylphenol
CID 118909015
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 21282731
methyl 2-hydroxy-5-(3-hydroxypropyl)-3-methylbenzoate
CID 77231111
2,6-dimethyl-4-pentylphenol
CID 22625507
2,6-bis[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 21344476
2-[[2-hydroxy-5-(5-hydroxypentyl)-3-(2-methylbutan-2-yl)phenyl]methyl]-4-(5-hydroxypentyl)-6-(2-methylbutan-2-yl)phenol
CID 58863005
2,6-dimethyl-4-octadecylphenol
CID 66619575

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol?
The IUPAC name of 2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol (CID 58863008) is 2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol.
What is the SMILES notation for 2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol?
The canonical SMILES for 2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol is Cc1cc(CCCO)cc(Cc2cc(CCCO)cc(C)c2O)c1O.
What is the InChIKey of 2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol?
The InChIKey is MUNCLIWHAWPHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O4/c1-14-9-16(5-3-7-22)11-18(20(14)24)13-19-12-17(6-4-8-23)10-15(2)21(19)25/h9-12,22-25H,3-8,13H2,1-2H3.
What are the key properties of 2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol?
2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol has a molecular weight of 344.45 g/mol, XLogP of 3.16, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol is sourced from PubChem (CID 58863008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).