2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid

C11H12O4 — CID 84819506

IUPAC2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid
SMILESC/C=C/c1cc(OC)c(O)c(C(=O)O)c1
InChIInChI=1S/C11H12O4/c1-3-4-7-5-8(11(13)14)10(12)9(6-7)15-2/h3-6,12H,1-2H3,(H,13,14)/b4-3+
InChIKeyCZKYVNLEHLLDSY-ONEGZZNKSA-N
MW208.21 g/mol
LogP2.13
Rot. Bonds3

About 2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid

2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid (PubChem CID 84819506) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid
PubChem CID84819506
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid
SMILESC/C=C/c1cc(OC)c(O)c(C(=O)O)c1
InChIInChI=1S/C11H12O4/c1-3-4-7-5-8(11(13)14)10(12)9(6-7)15-2/h3-6,12H,1-2H3,(H,13,14)/b4-3+
InChIKeyCZKYVNLEHLLDSY-ONEGZZNKSA-N
XLogP2.13
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-6-methyl-4-[(E)-prop-1-enyl]phenol
CID 45266886
2-hydroxy-3-methoxy-5-sulfobenzoic acid
CID 139951526
5-amino-2-hydroxy-3-methoxybenzoic acid
CID 50883012
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
2-[2-(3,4-dihydroxy-5-methoxyphenyl)ethenyl]-8-hydroxyquinoline-5,7-dicarboxylic acid
CID 136612305
(2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
CID 162960084
sodium 5-formyl-2-hydroxy-3-methoxybenzoate
CID 23721913
5-[carboxy(hydroxy)methyl]-2-hydroxy-3-methoxybenzoic acid
CID 117356941
2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol
CID 162516156
sodium (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 139662068
bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc
CID 175804048
(2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate
CID 162967037

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid?
The IUPAC name of 2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid (CID 84819506) is 2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid?
The canonical SMILES for 2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid is C/C=C/c1cc(OC)c(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid?
The InChIKey is CZKYVNLEHLLDSY-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H12O4/c1-3-4-7-5-8(11(13)14)10(12)9(6-7)15-2/h3-6,12H,1-2H3,(H,13,14)/b4-3+.
What are the key properties of 2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid?
2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid has a molecular weight of 208.21 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid is sourced from PubChem (CID 84819506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).