ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate

C21H36O5 — CID 155414836

IUPACethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate
SMILESCCCCCCCCC(=O)OCc1ccc(O)c(OC)c1.CCOCC
InChIInChI=1S/C17H26O4.C4H10O/c1-3-4-5-6-7-8-9-17(19)21-13-14-10-11-15(18)16(12-14)20-2;1-3-5-4-2/h10-12,18H,3-9,13H2,1-2H3;3-4H2,1-2H3
InChIKeyHNJHVVODPWGAGC-UHFFFAOYSA-N
MW368.51 g/mol
LogP5.24
Rot. Bonds12

About ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate

ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate (PubChem CID 155414836) has the molecular formula C21H36O5 and a molecular weight of 368.51 g/mol. Its IUPAC name is ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate.

Molecular Properties

Compound Nameethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate
PubChem CID155414836
Molecular FormulaC21H36O5
Molecular Weight368.51 g/mol
Exact Mass368.26
IUPAC Nameethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate
SMILESCCCCCCCCC(=O)OCc1ccc(O)c(OC)c1.CCOCC
InChIInChI=1S/C17H26O4.C4H10O/c1-3-4-5-6-7-8-9-17(19)21-13-14-10-11-15(18)16(12-14)20-2;1-3-5-4-2/h10-12,18H,3-9,13H2,1-2H3;3-4H2,1-2H3
InChIKeyHNJHVVODPWGAGC-UHFFFAOYSA-N
XLogP5.24
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxy-3-methoxyphenyl)methyl undecanoate
CID 15979965
(4-hydroxy-3-methoxyphenyl)methyl tridecanoate
CID 25120035
2-(4-hydroxy-3-methoxyphenyl)ethyl octacosanoate
CID 101421508
(4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate
CID 68603374
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid
CID 155414838
(4-ethoxy-3-methoxyphenyl)methyl hexanoate
CID 78841902
benzyl 4-hydroxy-3-methoxynonanoate;(4-hydroxy-3-methoxyphenyl)methyl nonanoate
CID 129308074
2-methoxy-4-(tetradecoxymethyl)phenol
CID 15468909
(4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate
CID 175589732
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
(3-ethoxy-4-hydroxyphenyl)methyl 7-methylnonanoate
CID 24890752
(3-methoxyphenyl)methyl hexadecanoate
CID 23119633

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate?
The IUPAC name of ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate (CID 155414836) is ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate.
What is the SMILES notation for ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate?
The canonical SMILES for ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate is CCCCCCCCC(=O)OCc1ccc(O)c(OC)c1.CCOCC.
What is the InChIKey of ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate?
The InChIKey is HNJHVVODPWGAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4.C4H10O/c1-3-4-5-6-7-8-9-17(19)21-13-14-10-11-15(18)16(12-14)20-2;1-3-5-4-2/h10-12,18H,3-9,13H2,1-2H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate?
ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate has a molecular weight of 368.51 g/mol, XLogP of 5.24, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate is sourced from PubChem (CID 155414836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).