This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

3-Methoxy-4-hydroxy-cinnamic acid

PubChem CID: 709

Connections displayed (default: 10).
Loading graph...

Compound Synonyms (E/Z)-ferulic acid, DTXSID5040673, Spectrum_001256, SpecPlus_000547, Spectrum2_001394, Spectrum3_001434, Spectrum4_001897, KBioGR_002459, KBioSS_001736, DivK1c_006643, SPBio_001408, CHEMBL3185646, KBio1_001587, KBio2_001736, KBio2_004304, KBio2_006872, KBio3_002388, 3-methoxy4-hydroxy cinnamic acid, 4-hydroxyl-3-methoxycinnamic acid, 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (2Z)-, 3-methoxy-4-hydroxy cinnamic acid, 3-methoxy-4-hydroxy-cinnamic acid, 4-hydroxy-3-methoxy-cinnamic acid, HMS3655P22, AKOS028109905, NCGC00094889-05, NCI60_002312, SY013625, DB-120370, 3-(4-hydroxy-3-methoxyphenyl)-acrylic acid, NS00006133, 3-(4-Hydroxy-3-methoxy-phenyl)-acrylic acid, (E/Z)-Ferulic acid 1000 microg/mL in Acetone, 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid, 3- (4-hydroxy-3-methoxyphenyl) -2-propenoic acid, ferulic acid (trans-4-hydroxy-3-methoxycinnamic acid), Q51617501
Topological Polar Surface Area 66.8
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 14.0
Isotope Atom Count 0.0
Molecular Complexity 224.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Prediction Hob 1.0
Xlogp 1.5
Molecular Formula C10H10O4
Prediction Swissadme 0.0
Inchi Key KSEBMYQBYZTDHS-UHFFFAOYSA-N
Fcsp3 0.1
Logs -1.761
Rotatable Bond Count 3.0
Logd 2.724
Compound Name 3-Methoxy-4-hydroxy-cinnamic acid
Prediction Hob Swissadme 0.0
Exact Mass 194.058
Formal Charge 0.0
Monoisotopic Mass 194.058
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 194.18
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -2.1143960571428573
Inchi InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)
Smiles COC1=C(C=CC(=C1)C=CC(=O)O)O
Nring 1.0
Defined Bond Stereocenter Count 0.0