5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol

C18H23NO5 — CID 162972119

IUPAC5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol
SMILESCOc1ccc(CCNC[C@H](O)c2ccc(O)c(OC)c2)cc1O
InChIInChI=1S/C18H23NO5/c1-23-17-6-3-12(9-15(17)21)7-8-19-11-16(22)13-4-5-14(20)18(10-13)24-2/h3-6,9-10,16,19-22H,7-8,11H2,1-2H3/t16-/m0/s1
InChIKeyGJLLUTRTQIRUOA-INIZCTEOSA-N
MW333.38 g/mol
LogP1.98
Rot. Bonds8

About 5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol

5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol (PubChem CID 162972119) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol
PubChem CID162972119
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol
SMILESCOc1ccc(CCNC[C@H](O)c2ccc(O)c(OC)c2)cc1O
InChIInChI=1S/C18H23NO5/c1-23-17-6-3-12(9-15(17)21)7-8-19-11-16(22)13-4-5-14(20)18(10-13)24-2/h3-6,9-10,16,19-22H,7-8,11H2,1-2H3/t16-/m0/s1
InChIKeyGJLLUTRTQIRUOA-INIZCTEOSA-N
XLogP1.98
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-1-hydroxy-2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]benzene-1,2-diol;hydrochloride
CID 53379898
4-[(1S)-1-hydroxy-2-[2-[3-methoxy-4-(3-phenylpropoxy)phenyl]ethylamino]ethyl]benzene-1,2-diol
CID 127046951
4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol;4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol
CID 77253546
4-[2-[2-[4-(3,4-dimethoxyanilino)phenyl]ethylamino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
CID 59119423
5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol
CID 94803138
(1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol
CID 7319732
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol
CID 58461759
4-[(1S)-1-hydroxy-2-[3-(4-methoxyphenyl)propylamino]ethyl]benzene-1,2-diol
CID 54547683
5-[1-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)butan-2-ylamino]ethyl]-2-methoxybenzenesulfonamide;hydrochloride
CID 23347178
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82314341
5-[(2R)-2-(3,5-dimethoxy-4-methylphenyl)-2-hydroxyethyl]-2-methoxyphenol
CID 130324218

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol?
The IUPAC name of 5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol (CID 162972119) is 5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol.
What is the SMILES notation for 5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol?
The canonical SMILES for 5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol is COc1ccc(CCNC[C@H](O)c2ccc(O)c(OC)c2)cc1O.
What is the InChIKey of 5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol?
The InChIKey is GJLLUTRTQIRUOA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23NO5/c1-23-17-6-3-12(9-15(17)21)7-8-19-11-16(22)13-4-5-14(20)18(10-13)24-2/h3-6,9-10,16,19-22H,7-8,11H2,1-2H3/t16-/m0/s1.
What are the key properties of 5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol?
5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol has a molecular weight of 333.38 g/mol, XLogP of 1.98, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol is sourced from PubChem (CID 162972119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).