2-hydroxyethyl 3-(3-tert-butyl-2-ethoxyphenyl)propanoate

C17H26O4 — CID 21199280

IUPAC2-hydroxyethyl 3-(3-tert-butyl-2-ethoxyphenyl)propanoate
SMILESCCOc1c(CCC(=O)OCCO)cccc1C(C)(C)C
InChIInChI=1S/C17H26O4/c1-5-20-16-13(9-10-15(19)21-12-11-18)7-6-8-14(16)17(2,3)4/h6-8,18H,5,9-12H2,1-4H3
InChIKeyAZDUYZKRKCDLTM-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.85
Rot. Bonds7

About 2-hydroxyethyl 3-(3-tert-butyl-2-ethoxyphenyl)propanoate

2-hydroxyethyl 3-(3-tert-butyl-2-ethoxyphenyl)propanoate (PubChem CID 21199280) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-hydroxyethyl 3-(3-tert-butyl-2-ethoxyphenyl)propanoate.

Molecular Properties

Compound Name2-hydroxyethyl 3-(3-tert-butyl-2-ethoxyphenyl)propanoate
PubChem CID21199280
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name2-hydroxyethyl 3-(3-tert-butyl-2-ethoxyphenyl)propanoate
SMILESCCOc1c(CCC(=O)OCCO)cccc1C(C)(C)C
InChIInChI=1S/C17H26O4/c1-5-20-16-13(9-10-15(19)21-12-11-18)7-6-8-14(16)17(2,3)4/h6-8,18H,5,9-12H2,1-4H3
InChIKeyAZDUYZKRKCDLTM-UHFFFAOYSA-N
XLogP2.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55563336
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ethyl 3-[2-(1,1-difluoroethyl)phenyl]propanoate
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2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene
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CID 113221188
2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 21199201
ethyl 3-[3-amino-2-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate
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O-(2-tert-butyl-6-propylphenyl)hydroxylamine
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3-(3,5-ditert-butyl-2-ethoxyphenyl)propanoic acid
CID 21199705
3-[2-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-3-methoxyphenyl]propanoic acid
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2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate
CID 78832274

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-(3-tert-butyl-2-ethoxyphenyl)propanoate?
The IUPAC name of 2-hydroxyethyl 3-(3-tert-butyl-2-ethoxyphenyl)propanoate (CID 21199280) is 2-hydroxyethyl 3-(3-tert-butyl-2-ethoxyphenyl)propanoate.
What is the SMILES notation for 2-hydroxyethyl 3-(3-tert-butyl-2-ethoxyphenyl)propanoate?
The canonical SMILES for 2-hydroxyethyl 3-(3-tert-butyl-2-ethoxyphenyl)propanoate is CCOc1c(CCC(=O)OCCO)cccc1C(C)(C)C.
What is the InChIKey of 2-hydroxyethyl 3-(3-tert-butyl-2-ethoxyphenyl)propanoate?
The InChIKey is AZDUYZKRKCDLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-5-20-16-13(9-10-15(19)21-12-11-18)7-6-8-14(16)17(2,3)4/h6-8,18H,5,9-12H2,1-4H3.
What are the key properties of 2-hydroxyethyl 3-(3-tert-butyl-2-ethoxyphenyl)propanoate?
2-hydroxyethyl 3-(3-tert-butyl-2-ethoxyphenyl)propanoate has a molecular weight of 294.39 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-(3-tert-butyl-2-ethoxyphenyl)propanoate is sourced from PubChem (CID 21199280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).