4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid

C11H12O4 — CID 169453817

IUPAC4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid
SMILESCOc1cc(C=CCO)ccc1C(=O)O
InChIInChI=1S/C11H12O4/c1-15-10-7-8(3-2-6-12)4-5-9(10)11(13)14/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyFMOHCMAEBKXMBY-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.40
Rot. Bonds4

About 4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid

4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid (PubChem CID 169453817) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid
PubChem CID169453817
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid
SMILESCOc1cc(C=CCO)ccc1C(=O)O
InChIInChI=1S/C11H12O4/c1-15-10-7-8(3-2-6-12)4-5-9(10)11(13)14/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyFMOHCMAEBKXMBY-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

4-[(E)-3-hydroxyprop-1-enyl]-2-methoxybenzoic acid
CID 101130006
4-(3-ethoxy-3-oxoprop-1-enyl)-2-methoxybenzoic acid
CID 169480785
2-methoxy-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]benzoic acid
CID 170491045
(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol
CID 130131205
[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl] (Z)-2-methylbut-2-enoate
CID 46918723
(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
CID 59912945
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
2-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453819
3-(4-acetyl-3-methoxyphenyl)prop-2-enoic acid
CID 141209631
2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 54000159
methyl 4-(4-amino-4-oxobut-1-enyl)-2-methoxybenzoate
CID 170798773

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid?
The IUPAC name of 4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid (CID 169453817) is 4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid?
The canonical SMILES for 4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid is COc1cc(C=CCO)ccc1C(=O)O.
What is the InChIKey of 4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid?
The InChIKey is FMOHCMAEBKXMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-15-10-7-8(3-2-6-12)4-5-9(10)11(13)14/h2-5,7,12H,6H2,1H3,(H,13,14).
What are the key properties of 4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid?
4-(3-hydroxyprop-1-enyl)-2-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 4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid is sourced from PubChem (CID 169453817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).