methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate

C18H18O4 — CID 141326793

IUPACmethyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
SMILESC/C=C(\c1ccccc1)c1cc(OC)cc(O)c1C(=O)OC
InChIInChI=1S/C18H18O4/c1-4-14(12-8-6-5-7-9-12)15-10-13(21-2)11-16(19)17(15)18(20)22-3/h4-11,19H,1-3H3/b14-4+
InChIKeyDLFGSGARQSGPTK-LNKIKWGQSA-N
MW298.34 g/mol
LogP3.64
Rot. Bonds4

About methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate

methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate (PubChem CID 141326793) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
PubChem CID141326793
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Namemethyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
SMILESC/C=C(\c1ccccc1)c1cc(OC)cc(O)c1C(=O)OC
InChIInChI=1S/C18H18O4/c1-4-14(12-8-6-5-7-9-12)15-10-13(21-2)11-16(19)17(15)18(20)22-3/h4-11,19H,1-3H3/b14-4+
InChIKeyDLFGSGARQSGPTK-LNKIKWGQSA-N
XLogP3.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
CID 141326808
methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate
CID 71626584
1,4-dimethoxy-2-[(E)-1-phenylprop-1-enyl]benzene
CID 102370228
1,4-dimethoxy-2-[(Z)-1-phenylprop-1-enyl]benzene
CID 102082357
methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate
CID 154074873
methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate
CID 154074888
1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 11414548
trimethyl 4-benzoylbenzene-1,2,3-tricarboxylate
CID 139914532
methyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate
CID 154074857
CID 175499515
CID 175499515
CID 172864174
CID 172864174
methyl 2,4-dimethoxy-6-phenacylbenzoate
CID 10358262

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate?
The IUPAC name of methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate (CID 141326793) is methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate.
What is the SMILES notation for methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate?
The canonical SMILES for methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate is C/C=C(\c1ccccc1)c1cc(OC)cc(O)c1C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate?
The InChIKey is DLFGSGARQSGPTK-LNKIKWGQSA-N. The full InChI is InChI=1S/C18H18O4/c1-4-14(12-8-6-5-7-9-12)15-10-13(21-2)11-16(19)17(15)18(20)22-3/h4-11,19H,1-3H3/b14-4+.
What are the key properties of methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate?
methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate has a molecular weight of 298.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate is sourced from PubChem (CID 141326793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).