3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid

C19H20O4 — CID 58146244

IUPAC3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid
SMILESCOCOc1cc(C(=O)O)cc(C)c1C/C=C/c1ccccc1
InChIInChI=1S/C19H20O4/c1-14-11-16(19(20)21)12-18(23-13-22-2)17(14)10-6-9-15-7-4-3-5-8-15/h3-9,11-12H,10,13H2,1-2H3,(H,20,21)/b9-6+
InChIKeySRSLKZVZJKYJFP-RMKNXTFCSA-N
MW312.37 g/mol
LogP3.93
Rot. Bonds7

About 3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid

3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid (PubChem CID 58146244) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid.

Molecular Properties

Compound Name3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid
PubChem CID58146244
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid
SMILESCOCOc1cc(C(=O)O)cc(C)c1C/C=C/c1ccccc1
InChIInChI=1S/C19H20O4/c1-14-11-16(19(20)21)12-18(23-13-22-2)17(14)10-6-9-15-7-4-3-5-8-15/h3-9,11-12H,10,13H2,1-2H3,(H,20,21)/b9-6+
InChIKeySRSLKZVZJKYJFP-RMKNXTFCSA-N
XLogP3.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde
CID 59560058
3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid
CID 24899884
3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol
CID 162361453
3,4-bis(methoxymethoxy)benzoic acid
CID 10421835
3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol
CID 59639128
5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol
CID 163442427
(E)-1-[5-bromo-4-methoxy-2-(methoxymethoxy)phenyl]-2,2-dimethyl-7-phenylhept-6-ene-1,3-dione
CID 102170386
4-bromo-3-(methoxymethoxy)benzoic acid
CID 69238735
4-(2-methoxyethoxy)-3-methylbenzoic acid
CID 58551370
4-[[2-(2-methoxyethoxy)phenyl]methyl]-5-methylbenzene-1,3-dicarboxylic acid
CID 151098682
4-methoxy-3-[[(E)-3-phenylprop-2-enyl]amino]benzoic acid
CID 17058701
3,4-bis[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzoic acid
CID 142209148

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid?
The IUPAC name of 3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid (CID 58146244) is 3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid.
What is the SMILES notation for 3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid?
The canonical SMILES for 3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid is COCOc1cc(C(=O)O)cc(C)c1C/C=C/c1ccccc1.
What is the InChIKey of 3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid?
The InChIKey is SRSLKZVZJKYJFP-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H20O4/c1-14-11-16(19(20)21)12-18(23-13-22-2)17(14)10-6-9-15-7-4-3-5-8-15/h3-9,11-12H,10,13H2,1-2H3,(H,20,21)/b9-6+.
What are the key properties of 3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid?
3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid has a molecular weight of 312.37 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid is sourced from PubChem (CID 58146244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).