3-methoxy-5-methyl-4-[(Z)-prop-1-enyl]benzoic acid

C12H14O3 — CID 126606923

IUPAC3-methoxy-5-methyl-4-[(Z)-prop-1-enyl]benzoic acid
SMILESC/C=C\c1c(C)cc(C(=O)O)cc1OC
InChIInChI=1S/C12H14O3/c1-4-5-10-8(2)6-9(12(13)14)7-11(10)15-3/h4-7H,1-3H3,(H,13,14)/b5-4-
InChIKeyULQJOAJYHMAUSF-PLNGDYQASA-N
MW206.24 g/mol
LogP2.73
Rot. Bonds3

About 3-methoxy-5-methyl-4-[(Z)-prop-1-enyl]benzoic acid

3-methoxy-5-methyl-4-[(Z)-prop-1-enyl]benzoic acid (PubChem CID 126606923) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-methoxy-5-methyl-4-[(Z)-prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name3-methoxy-5-methyl-4-[(Z)-prop-1-enyl]benzoic acid
PubChem CID126606923
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-methoxy-5-methyl-4-[(Z)-prop-1-enyl]benzoic acid
SMILESC/C=C\c1c(C)cc(C(=O)O)cc1OC
InChIInChI=1S/C12H14O3/c1-4-5-10-8(2)6-9(12(13)14)7-11(10)15-3/h4-7H,1-3H3,(H,13,14)/b5-4-
InChIKeyULQJOAJYHMAUSF-PLNGDYQASA-N
XLogP2.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-carboxyprop-1-enyl)-3,5-dimethoxybenzoic acid
CID 170484443
3,5-dimethoxy-4-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169474463
(E)-3-(2-methoxy-4,6-dimethylphenyl)prop-2-enoic acid
CID 82492148
3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid
CID 54447835
4-carboxy-2,6-dimethoxyphenolate
CID 54694262
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
4-butyl-3-methoxy-5-methylbenzoic acid
CID 155978922
3-methoxy-4-(3-methoxyphenyl)-5-methylbenzoic acid
CID 54308818
1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene
CID 643381
4-(3-hydroxybutyl)-3-methoxy-5-methylbenzoic acid
CID 155978919
2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid
CID 84819506
4-[4-[(E)-2-(4-methoxy-2,3,6-trimethylphenyl)ethenyl]phenyl]benzoic acid
CID 84820412

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-4-[(Z)-prop-1-enyl]benzoic acid?
The IUPAC name of 3-methoxy-5-methyl-4-[(Z)-prop-1-enyl]benzoic acid (CID 126606923) is 3-methoxy-5-methyl-4-[(Z)-prop-1-enyl]benzoic acid.
What is the SMILES notation for 3-methoxy-5-methyl-4-[(Z)-prop-1-enyl]benzoic acid?
The canonical SMILES for 3-methoxy-5-methyl-4-[(Z)-prop-1-enyl]benzoic acid is C/C=C\c1c(C)cc(C(=O)O)cc1OC.
What is the InChIKey of 3-methoxy-5-methyl-4-[(Z)-prop-1-enyl]benzoic acid?
The InChIKey is ULQJOAJYHMAUSF-PLNGDYQASA-N. The full InChI is InChI=1S/C12H14O3/c1-4-5-10-8(2)6-9(12(13)14)7-11(10)15-3/h4-7H,1-3H3,(H,13,14)/b5-4-.
What are the key properties of 3-methoxy-5-methyl-4-[(Z)-prop-1-enyl]benzoic acid?
3-methoxy-5-methyl-4-[(Z)-prop-1-enyl]benzoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-4-[(Z)-prop-1-enyl]benzoic acid is sourced from PubChem (CID 126606923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).