[2-hydroxy-1-(4-hydroxyphenyl)ethyl] propanoate

C11H14O4 — CID 70378948

IUPAC[2-hydroxy-1-(4-hydroxyphenyl)ethyl] propanoate
SMILESCCC(=O)OC(CO)c1ccc(O)cc1
InChIInChI=1S/C11H14O4/c1-2-11(14)15-10(7-12)8-3-5-9(13)6-4-8/h3-6,10,12-13H,2,7H2,1H3
InChIKeyTWZMKXJGBVYDNE-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.38
Rot. Bonds4

About [2-hydroxy-1-(4-hydroxyphenyl)ethyl] propanoate

[2-hydroxy-1-(4-hydroxyphenyl)ethyl] propanoate (PubChem CID 70378948) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is [2-hydroxy-1-(4-hydroxyphenyl)ethyl] propanoate.

Molecular Properties

Compound Name[2-hydroxy-1-(4-hydroxyphenyl)ethyl] propanoate
PubChem CID70378948
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name[2-hydroxy-1-(4-hydroxyphenyl)ethyl] propanoate
SMILESCCC(=O)OC(CO)c1ccc(O)cc1
InChIInChI=1S/C11H14O4/c1-2-11(14)15-10(7-12)8-3-5-9(13)6-4-8/h3-6,10,12-13H,2,7H2,1H3
InChIKeyTWZMKXJGBVYDNE-UHFFFAOYSA-N
XLogP1.38
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)but-3-enyl propanoate
CID 101494371
ethyl (3S)-3-(4-hydroxyphenyl)-3-methoxypropanoate
CID 129379354
1-hydroxypropan-2-yl 4,4-bis(4-hydroxyphenyl)butanoate
CID 69101831
4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;ethyl acetate
CID 139176333
(2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate
CID 91438959
ethanol;1-phenylethyl propanoate
CID 175279617
[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate
CID 175035515
1-phenylpropyl 2-hydroxyacetate
CID 174847309
3-propanoyloxybutan-2-yl propanoate
CID 14494224
1-(4-hydroxyphenyl)hexyl prop-2-enoate
CID 163283433
[(1S)-2-bromo-1-naphthalen-2-ylethyl] propanoate
CID 177415384
ethyl 4,4-bis(4-hydroxyphenyl)-3-methylbutanoate
CID 70442287

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-1-(4-hydroxyphenyl)ethyl] propanoate?
The IUPAC name of [2-hydroxy-1-(4-hydroxyphenyl)ethyl] propanoate (CID 70378948) is [2-hydroxy-1-(4-hydroxyphenyl)ethyl] propanoate.
What is the SMILES notation for [2-hydroxy-1-(4-hydroxyphenyl)ethyl] propanoate?
The canonical SMILES for [2-hydroxy-1-(4-hydroxyphenyl)ethyl] propanoate is CCC(=O)OC(CO)c1ccc(O)cc1.
What is the InChIKey of [2-hydroxy-1-(4-hydroxyphenyl)ethyl] propanoate?
The InChIKey is TWZMKXJGBVYDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-11(14)15-10(7-12)8-3-5-9(13)6-4-8/h3-6,10,12-13H,2,7H2,1H3.
What are the key properties of [2-hydroxy-1-(4-hydroxyphenyl)ethyl] propanoate?
[2-hydroxy-1-(4-hydroxyphenyl)ethyl] propanoate has a molecular weight of 210.23 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-1-(4-hydroxyphenyl)ethyl] propanoate is sourced from PubChem (CID 70378948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).