3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid

C10H10O5 — CID 25201765

IUPAC3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(C=CC(=O)O)c(O)cc1O
InChIInChI=1S/C10H10O5/c1-15-9-4-6(2-3-10(13)14)7(11)5-8(9)12/h2-5,11-12H,1H3,(H,13,14)
InChIKeyQVTORZSLDIMFQS-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.20
Rot. Bonds3

About 3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid

3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid (PubChem CID 25201765) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid
PubChem CID25201765
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(C=CC(=O)O)c(O)cc1O
InChIInChI=1S/C10H10O5/c1-15-9-4-6(2-3-10(13)14)7(11)5-8(9)12/h2-5,11-12H,1H3,(H,13,14)
InChIKeyQVTORZSLDIMFQS-UHFFFAOYSA-N
XLogP1.20
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-2-carboxyethenyl]-5-hydroxy-4-methoxyphenolate
CID 90657637
3-(2-fluoro-4,5-dimethoxyphenyl)prop-2-enoic acid
CID 53403843
(E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid
CID 735828
3-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 57362942
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146
3-(2,4-dimethoxy-5-methylphenyl)prop-2-enoic acid
CID 67628018
(E)-3-(4-methoxy-2,5-dimethylphenyl)prop-2-enoic acid
CID 6299093
(E)-3-(2-chloro-3,4,5-trimethoxyphenyl)prop-2-enoic acid
CID 175120401
trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 174973622
(E)-3-(2-bromo-3,4,5-trimethoxyphenyl)prop-2-enoic acid
CID 121010104
(E)-3-(2-hydroxy-5-iodo-3-methoxyphenyl)prop-2-enoic acid
CID 91755695
(E)-3-(2-methoxy-4-methylphenyl)(113C)prop-2-enoic acid
CID 42638699

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of 3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid (CID 25201765) is 3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for 3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid is COc1cc(C=CC(=O)O)c(O)cc1O.
What is the InChIKey of 3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid?
The InChIKey is QVTORZSLDIMFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-15-9-4-6(2-3-10(13)14)7(11)5-8(9)12/h2-5,11-12H,1H3,(H,13,14).
What are the key properties of 3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid?
3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid has a molecular weight of 210.18 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 25201765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).