2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol

C17H22O6 — CID 139058411

IUPAC2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol
SMILESCO.Oc1ccccc1OCCOCCOc1ccccc1O
InChIInChI=1S/C16H18O5.CH4O/c17-13-5-1-3-7-15(13)20-11-9-19-10-12-21-16-8-4-2-6-14(16)18;1-2/h1-8,17-18H,9-12H2;2H,1H3
InChIKeyGBOOZQOEPZVWRN-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.18
Rot. Bonds8

About 2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol

2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol (PubChem CID 139058411) has the molecular formula C17H22O6 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol
PubChem CID139058411
Molecular FormulaC17H22O6
Molecular Weight322.36 g/mol
Exact Mass322.14
IUPAC Name2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol
SMILESCO.Oc1ccccc1OCCOCCOc1ccccc1O
InChIInChI=1S/C16H18O5.CH4O/c17-13-5-1-3-7-15(13)20-11-9-19-10-12-21-16-8-4-2-6-14(16)18;1-2/h1-8,17-18H,9-12H2;2H,1H3
InChIKeyGBOOZQOEPZVWRN-UHFFFAOYSA-N
XLogP2.18
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-propan-2-yloxyethoxy)phenol
CID 61484898
2-tridecoxyphenol
CID 67178320
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
3-[2-[2-[2-[2-[2-[2-[2-[2-(3-hydroxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-ol
CID 101421766
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
CID 104564323
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
cobalt;bis(2-decoxyphenol);dihydrate
CID 70521593
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
2-(5-bromopentoxy)phenol
CID 13197601

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol?
The IUPAC name of 2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol (CID 139058411) is 2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol.
What is the SMILES notation for 2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol?
The canonical SMILES for 2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol is CO.Oc1ccccc1OCCOCCOc1ccccc1O.
What is the InChIKey of 2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol?
The InChIKey is GBOOZQOEPZVWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5.CH4O/c17-13-5-1-3-7-15(13)20-11-9-19-10-12-21-16-8-4-2-6-14(16)18;1-2/h1-8,17-18H,9-12H2;2H,1H3.
What are the key properties of 2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol?
2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol has a molecular weight of 322.36 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol is sourced from PubChem (CID 139058411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).