hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

C10H10O4 — CID 134285367

IUPAChydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(O)cc1)OCO
InChIInChI=1S/C10H10O4/c11-7-14-10(13)6-3-8-1-4-9(12)5-2-8/h1-6,11-12H,7H2/b6-3+
InChIKeyORFPBTVLXXFXEU-ZZXKWVIFSA-N
MW194.19 g/mol
LogP0.90
Rot. Bonds3

About hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate (PubChem CID 134285367) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namehydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
PubChem CID134285367
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Namehydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(O)cc1)OCO
InChIInChI=1S/C10H10O4/c11-7-14-10(13)6-3-8-1-4-9(12)5-2-8/h1-6,11-12H,7H2/b6-3+
InChIKeyORFPBTVLXXFXEU-ZZXKWVIFSA-N
XLogP0.90
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid
CID 101219702
[2-hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]propyl] 3-(4-hydroxyphenyl)prop-2-enoate
CID 90833706
[(2S)-2,3-dihydroxypropyl] 3-(4-hydroxyphenyl)prop-2-enoate
CID 162945043
(4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 14204374
hexacosyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 516554
(2R)-2,3-bis[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy]propanoic acid
CID 143525430
3-nitrooxypropyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 59407362
2-[2-(dihydroxyamino)oxyethoxy]ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 89047695
2-oxoethyl 3-[4-[3-oxo-3-(2-oxoethoxy)prop-1-enyl]phenyl]prop-2-enoate
CID 54389925
ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 159734710
but-1-enyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 142738218
(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

Frequently Asked Questions

What is the IUPAC name of hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The IUPAC name of hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate (CID 134285367) is hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate is O=C(/C=C/c1ccc(O)cc1)OCO.
What is the InChIKey of hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The InChIKey is ORFPBTVLXXFXEU-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H10O4/c11-7-14-10(13)6-3-8-1-4-9(12)5-2-8/h1-6,11-12H,7H2/b6-3+.
What are the key properties of hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate has a molecular weight of 194.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 134285367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).