ethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol

C18H33NO4 — CID 143846527

IUPACethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol
SMILESCCO.OCCNCCCCCCCCOc1ccccc1O
InChIInChI=1S/C16H27NO3.C2H6O/c18-13-12-17-11-7-3-1-2-4-8-14-20-16-10-6-5-9-15(16)19;1-2-3/h5-6,9-10,17-19H,1-4,7-8,11-14H2;3H,2H2,1H3
InChIKeyMXNSUYCSPBYSNV-UHFFFAOYSA-N
MW327.46 g/mol
LogP2.69
Rot. Bonds12

About ethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol

ethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol (PubChem CID 143846527) has the molecular formula C18H33NO4 and a molecular weight of 327.46 g/mol. Its IUPAC name is ethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol.

Molecular Properties

Compound Nameethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol
PubChem CID143846527
Molecular FormulaC18H33NO4
Molecular Weight327.46 g/mol
Exact Mass327.24
IUPAC Nameethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol
SMILESCCO.OCCNCCCCCCCCOc1ccccc1O
InChIInChI=1S/C16H27NO3.C2H6O/c18-13-12-17-11-7-3-1-2-4-8-14-20-16-10-6-5-9-15(16)19;1-2-3/h5-6,9-10,17-19H,1-4,7-8,11-14H2;3H,2H2,1H3
InChIKeyMXNSUYCSPBYSNV-UHFFFAOYSA-N
XLogP2.69
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 62452397
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3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol
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2-(5-bromopentoxy)phenol
CID 13197601
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CID 62452469
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CID 2249724

Frequently Asked Questions

What is the IUPAC name of ethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol?
The IUPAC name of ethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol (CID 143846527) is ethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol.
What is the SMILES notation for ethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol?
The canonical SMILES for ethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol is CCO.OCCNCCCCCCCCOc1ccccc1O.
What is the InChIKey of ethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol?
The InChIKey is MXNSUYCSPBYSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3.C2H6O/c18-13-12-17-11-7-3-1-2-4-8-14-20-16-10-6-5-9-15(16)19;1-2-3/h5-6,9-10,17-19H,1-4,7-8,11-14H2;3H,2H2,1H3.
What are the key properties of ethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol?
ethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol has a molecular weight of 327.46 g/mol, XLogP of 2.69, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol is sourced from PubChem (CID 143846527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).