ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid

C11H14O4 — CID 159734710

IUPACethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
SMILESCCO.O=C(O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C9H8O3.C2H6O/c10-8-4-1-7(2-5-8)3-6-9(11)12;1-2-3/h1-6,10H,(H,11,12);3H,2H2,1H3/b6-3+;
InChIKeyNBRMDZMLVJVNST-ZIKNSQGESA-N
MW210.23 g/mol
LogP1.49
Rot. Bonds2

About ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid

ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid (PubChem CID 159734710) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Nameethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
PubChem CID159734710
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
SMILESCCO.O=C(O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C9H8O3.C2H6O/c10-8-4-1-7(2-5-8)3-6-9(11)12;1-2-3/h1-6,10H,(H,11,12);3H,2H2,1H3/b6-3+;
InChIKeyNBRMDZMLVJVNST-ZIKNSQGESA-N
XLogP1.49
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
tris(3-(4-hydroxyphenyl)prop-2-enoic acid);lanthanum
CID 153328544
3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
CID 68584496
ethanol;3-phenylprop-2-enoic acid
CID 158830805
3-(4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid
CID 70212366
(E)-3-[4-(2-methylprop-1-enyl)phenyl]prop-2-enoic acid
CID 19814193
(E)-3-(4-propanoylphenyl)prop-2-enoic acid
CID 18348058
4-(4-hydroxyphenyl)but-3-en-2-one
CID 159706417
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767
3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid
CID 175310617
11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid
CID 91104661
3-(4-ethoxyphenyl)prop-2-enoic acid;hydrochloride
CID 70257337

Frequently Asked Questions

What is the IUPAC name of ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid?
The IUPAC name of ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid (CID 159734710) is ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid.
What is the SMILES notation for ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid?
The canonical SMILES for ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid is CCO.O=C(O)/C=C/c1ccc(O)cc1.
What is the InChIKey of ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid?
The InChIKey is NBRMDZMLVJVNST-ZIKNSQGESA-N. The full InChI is InChI=1S/C9H8O3.C2H6O/c10-8-4-1-7(2-5-8)3-6-9(11)12;1-2-3/h1-6,10H,(H,11,12);3H,2H2,1H3/b6-3+;.
What are the key properties of ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid?
ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 159734710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).