5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol

C17H20O6 — CID 139687434

IUPAC5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol
SMILESOCCOc1ccc(Cc2ccc(OCCO)cc2O)c(O)c1
InChIInChI=1S/C17H20O6/c18-5-7-22-14-3-1-12(16(20)10-14)9-13-2-4-15(11-17(13)21)23-8-6-19/h1-4,10-11,18-21H,5-9H2
InChIKeyFQGZIEXSRGRPDU-UHFFFAOYSA-N
MW320.34 g/mol
LogP1.43
Rot. Bonds8

About 5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol

5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol (PubChem CID 139687434) has the molecular formula C17H20O6 and a molecular weight of 320.34 g/mol. Its IUPAC name is 5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol.

Molecular Properties

Compound Name5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol
PubChem CID139687434
Molecular FormulaC17H20O6
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol
SMILESOCCOc1ccc(Cc2ccc(OCCO)cc2O)c(O)c1
InChIInChI=1S/C17H20O6/c18-5-7-22-14-3-1-12(16(20)10-14)9-13-2-4-15(11-17(13)21)23-8-6-19/h1-4,10-11,18-21H,5-9H2
InChIKeyFQGZIEXSRGRPDU-UHFFFAOYSA-N
XLogP1.43
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

CID 162335780
CID 162335780
2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol
CID 23651183
methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate
CID 586358
2-tert-butyl-4-(2-hydroxyethoxy)phenol
CID 18353567
2-benzyl-5-octoxyphenol
CID 143162484
4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol
CID 138483629
2-ethyl-5-(4-methoxybutoxy)phenol
CID 135193551
2-[3-bromo-4-[(propan-2-ylamino)methyl]phenoxy]ethanol
CID 115575836
[4-[4-(4-benzyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone
CID 58175145
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde
CID 86617706
5-butoxy-2-phenylphenol
CID 70451587

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol?
The IUPAC name of 5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol (CID 139687434) is 5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol.
What is the SMILES notation for 5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol?
The canonical SMILES for 5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol is OCCOc1ccc(Cc2ccc(OCCO)cc2O)c(O)c1.
What is the InChIKey of 5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol?
The InChIKey is FQGZIEXSRGRPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O6/c18-5-7-22-14-3-1-12(16(20)10-14)9-13-2-4-15(11-17(13)21)23-8-6-19/h1-4,10-11,18-21H,5-9H2.
What are the key properties of 5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol?
5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol has a molecular weight of 320.34 g/mol, XLogP of 1.43, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol is sourced from PubChem (CID 139687434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).