2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate

C17H26O4 — CID 54207072

IUPAC2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate
SMILESCCc1cc(CC(=O)OCCO)cc(C(C)(C)CC)c1O
InChIInChI=1S/C17H26O4/c1-5-13-9-12(11-15(19)21-8-7-18)10-14(16(13)20)17(3,4)6-2/h9-10,18,20H,5-8,11H2,1-4H3
InChIKeyPTFWGZSKOHOJCA-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.72
Rot. Bonds7

About 2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate

2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate (PubChem CID 54207072) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate
PubChem CID54207072
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate
SMILESCCc1cc(CC(=O)OCCO)cc(C(C)(C)CC)c1O
InChIInChI=1S/C17H26O4/c1-5-13-9-12(11-15(19)21-8-7-18)10-14(16(13)20)17(3,4)6-2/h9-10,18,20H,5-8,11H2,1-4H3
InChIKeyPTFWGZSKOHOJCA-UHFFFAOYSA-N
XLogP2.72
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

10-[2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetyl]oxydecyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetate
CID 22133492
hexyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]acetate
CID 174435371
2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol
CID 22734661
2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate
CID 21199855
2-[[2-hydroxy-5-(5-hydroxypentyl)-3-(2-methylbutan-2-yl)phenyl]methyl]-4-(5-hydroxypentyl)-6-(2-methylbutan-2-yl)phenol
CID 58863005
pentadecyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate
CID 118862212
2-hydroxyethyl 3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]propanoate
CID 57172607
6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethylperoxy]hexyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetate
CID 54265100
10-methylundecyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetate
CID 54498839
3-[dimethoxy(methyl)silyl]propyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate
CID 155766031
2-hydroxyethyl 4-[4-hydroxy-3,5-bis[4-(2-hydroxyethoxy)-4-oxo-2-sulfanylidenebutyl]phenyl]-3-sulfanylidenebutanoate
CID 88682209
4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol
CID 54117859

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate?
The IUPAC name of 2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate (CID 54207072) is 2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate.
What is the SMILES notation for 2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate?
The canonical SMILES for 2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate is CCc1cc(CC(=O)OCCO)cc(C(C)(C)CC)c1O.
What is the InChIKey of 2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate?
The InChIKey is PTFWGZSKOHOJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-5-13-9-12(11-15(19)21-8-7-18)10-14(16(13)20)17(3,4)6-2/h9-10,18,20H,5-8,11H2,1-4H3.
What are the key properties of 2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate?
2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate has a molecular weight of 294.39 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate is sourced from PubChem (CID 54207072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).