3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid

C18H16O7 — CID 175310617

IUPAC3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1O
InChIInChI=1S/C9H8O4.C9H8O3/c10-7-3-1-6(8(11)5-7)2-4-9(12)13;10-8-4-1-7(2-5-8)3-6-9(11)12/h1-5,10-11H,(H,12,13);1-6,10H,(H,11,12)
InChIKeySYFFOIANPAYENH-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.69
Rot. Bonds4

About 3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid

3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid (PubChem CID 175310617) has the molecular formula C18H16O7 and a molecular weight of 344.32 g/mol. Its IUPAC name is 3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid
PubChem CID175310617
Molecular FormulaC18H16O7
Molecular Weight344.32 g/mol
Exact Mass344.09
IUPAC Name3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1O
InChIInChI=1S/C9H8O4.C9H8O3/c10-7-3-1-6(8(11)5-7)2-4-9(12)13;10-8-4-1-7(2-5-8)3-6-9(11)12/h1-5,10-11H,(H,12,13);1-6,10H,(H,11,12)
InChIKeySYFFOIANPAYENH-UHFFFAOYSA-N
XLogP2.69
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 159734710
3-(2-fluoro-4-hydroxyphenyl)prop-2-enoic acid
CID 53401635
3-(4-bromo-2-hydroxyphenyl)prop-2-enoic acid
CID 169461099
3,4-dihydroxybenzoic acid;4-hydroxybenzoic acid;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 69114202
3-[3-[5-(2-carboxyethenyl)-2-hydroxyphenyl]-4-hydroxyphenyl]prop-2-enoic acid
CID 73319213
1-(2-hydroxy-4-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68553838
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CID 689043
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
3-[4-(aminomethyl)-2-hydroxyphenyl]prop-2-enoic acid
CID 118648523

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid?
The IUPAC name of 3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid (CID 175310617) is 3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid?
The canonical SMILES for 3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid is O=C(O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1O.
What is the InChIKey of 3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid?
The InChIKey is SYFFOIANPAYENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4.C9H8O3/c10-7-3-1-6(8(11)5-7)2-4-9(12)13;10-8-4-1-7(2-5-8)3-6-9(11)12/h1-5,10-11H,(H,12,13);1-6,10H,(H,11,12).
What are the key properties of 3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid?
3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid has a molecular weight of 344.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 175310617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).