2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate

C16H24O4 — CID 21199201

IUPAC2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCCO)cc1C(C)(C)C
InChIInChI=1S/C16H24O4/c1-16(2,3)13-11-12(5-7-14(13)19-4)6-8-15(18)20-10-9-17/h5,7,11,17H,6,8-10H2,1-4H3
InChIKeyBQTZURNIJYMDJT-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.46
Rot. Bonds6

About 2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate

2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate (PubChem CID 21199201) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
PubChem CID21199201
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCCO)cc1C(C)(C)C
InChIInChI=1S/C16H24O4/c1-16(2,3)13-11-12(5-7-14(13)19-4)6-8-15(18)20-10-9-17/h5,7,11,17H,6,8-10H2,1-4H3
InChIKeyBQTZURNIJYMDJT-UHFFFAOYSA-N
XLogP2.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 82553687
2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate
CID 21199855
4-(3-tert-butyl-4-methoxyphenyl)butanoic acid
CID 57172546
2-(3-tert-butyl-4-methoxyphenyl)ethylcarbamothioic S-acid
CID 115170243
2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine
CID 94684195
methyl 3-(3-tert-butyl-4-propan-2-yloxyphenyl)propanoate
CID 82554235
1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea
CID 115168613
methyl 3-[4-[2-bis[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]phosphanyloxyethoxy-[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]phosphanyl]oxy-3-tert-butylphenyl]propanoate
CID 59498736
4-(2-bromoethyl)-2-tert-butyl-1-methoxybenzene
CID 82488264
2-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]guanidine
CID 112518697
1-[2-(3-tert-butyl-4-methoxyphenyl)ethylamino]propan-2-one
CID 115234974
octadecyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 19979679

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate?
The IUPAC name of 2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate (CID 21199201) is 2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate.
What is the SMILES notation for 2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate?
The canonical SMILES for 2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)OCCO)cc1C(C)(C)C.
What is the InChIKey of 2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate?
The InChIKey is BQTZURNIJYMDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-16(2,3)13-11-12(5-7-14(13)19-4)6-8-15(18)20-10-9-17/h5,7,11,17H,6,8-10H2,1-4H3.
What are the key properties of 2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate?
2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate has a molecular weight of 280.36 g/mol, XLogP of 2.46, 6 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-4-methoxyphenyl)propanoate is sourced from PubChem (CID 21199201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).