2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid

C11H12O4 — CID 169453821

IUPAC2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid
SMILESCOc1cccc(C=CCO)c1C(=O)O
InChIInChI=1S/C11H12O4/c1-15-9-6-2-4-8(5-3-7-12)10(9)11(13)14/h2-6,12H,7H2,1H3,(H,13,14)
InChIKeyJOTZYJUOMCRHND-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.40
Rot. Bonds4

About 2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid

2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid (PubChem CID 169453821) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid
PubChem CID169453821
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid
SMILESCOc1cccc(C=CCO)c1C(=O)O
InChIInChI=1S/C11H12O4/c1-15-9-6-2-4-8(5-3-7-12)10(9)11(13)14/h2-6,12H,7H2,1H3,(H,13,14)
InChIKeyJOTZYJUOMCRHND-UHFFFAOYSA-N
XLogP1.40
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxybut-1-enyl)-6-methoxybenzoic acid
CID 170477137
2-(3-acetylsulfanylprop-1-enyl)-6-methoxybenzoic acid
CID 169457797
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
2-(3-ethoxy-3-oxoprop-1-enyl)-6-methoxybenzoic acid
CID 169480788
2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]benzoic acid
CID 170491050
2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid
CID 162893724
3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453813
2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472202
1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one
CID 140987321
2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid
CID 169454343
2-[(E)-3-iodoprop-2-enyl]-6-methoxybenzoic acid
CID 11151283

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid?
The IUPAC name of 2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid (CID 169453821) is 2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid.
What is the SMILES notation for 2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid?
The canonical SMILES for 2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid is COc1cccc(C=CCO)c1C(=O)O.
What is the InChIKey of 2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid?
The InChIKey is JOTZYJUOMCRHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-15-9-6-2-4-8(5-3-7-12)10(9)11(13)14/h2-6,12H,7H2,1H3,(H,13,14).
What are the key properties of 2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid?
2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid has a molecular weight of 208.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid is sourced from PubChem (CID 169453821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).