methyl 2-hydroxy-4-[2-(2-methoxy-4-propylphenyl)ethenyl]benzoate

C20H22O4 — CID 67364154

IUPACmethyl 2-hydroxy-4-[2-(2-methoxy-4-propylphenyl)ethenyl]benzoate
SMILESCCCc1ccc(C=Cc2ccc(C(=O)OC)c(O)c2)c(OC)c1
InChIInChI=1S/C20H22O4/c1-4-5-14-6-9-16(19(13-14)23-2)10-7-15-8-11-17(18(21)12-15)20(22)24-3/h6-13,21H,4-5H2,1-3H3
InChIKeyGRKQNVXHJXMYKB-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.31
Rot. Bonds6

About methyl 2-hydroxy-4-[2-(2-methoxy-4-propylphenyl)ethenyl]benzoate

methyl 2-hydroxy-4-[2-(2-methoxy-4-propylphenyl)ethenyl]benzoate (PubChem CID 67364154) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is methyl 2-hydroxy-4-[2-(2-methoxy-4-propylphenyl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-[2-(2-methoxy-4-propylphenyl)ethenyl]benzoate
PubChem CID67364154
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Namemethyl 2-hydroxy-4-[2-(2-methoxy-4-propylphenyl)ethenyl]benzoate
SMILESCCCc1ccc(C=Cc2ccc(C(=O)OC)c(O)c2)c(OC)c1
InChIInChI=1S/C20H22O4/c1-4-5-14-6-9-16(19(13-14)23-2)10-7-15-8-11-17(18(21)12-15)20(22)24-3/h6-13,21H,4-5H2,1-3H3
InChIKeyGRKQNVXHJXMYKB-UHFFFAOYSA-N
XLogP4.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(3-chloroprop-1-enyl)-2-hydroxybenzoate
CID 169477870
methyl 2-hydroxy-4-(3-sulfanylprop-1-enyl)benzoate
CID 169455740
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
dimethyl 4-[2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2-dicarboxylate
CID 68979192
methyl 2-hydroxy-4-[2-(5-methylsulfanyl-2-phenylmethoxyphenyl)ethenyl]benzoate
CID 54041091
propyl 2-methoxy-4-propylbenzoate
CID 175548133
ethane;2-methoxy-4-propylphenol
CID 144852330
1-[2-hydroxy-5-[(E)-prop-1-enyl]phenyl]-2-(2-hydroxy-5-propylphenyl)ethane-1,2-dione
CID 54419007
(E)-1-(3,4-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)pent-1-en-3-one
CID 71681706
methyl 6-propylquinoline-4-carboxylate
CID 102941688
methyl 2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4,6-dimethoxybenzoate
CID 141364395
methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate
CID 155479645

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-[2-(2-methoxy-4-propylphenyl)ethenyl]benzoate?
The IUPAC name of methyl 2-hydroxy-4-[2-(2-methoxy-4-propylphenyl)ethenyl]benzoate (CID 67364154) is methyl 2-hydroxy-4-[2-(2-methoxy-4-propylphenyl)ethenyl]benzoate.
What is the SMILES notation for methyl 2-hydroxy-4-[2-(2-methoxy-4-propylphenyl)ethenyl]benzoate?
The canonical SMILES for methyl 2-hydroxy-4-[2-(2-methoxy-4-propylphenyl)ethenyl]benzoate is CCCc1ccc(C=Cc2ccc(C(=O)OC)c(O)c2)c(OC)c1.
What is the InChIKey of methyl 2-hydroxy-4-[2-(2-methoxy-4-propylphenyl)ethenyl]benzoate?
The InChIKey is GRKQNVXHJXMYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-4-5-14-6-9-16(19(13-14)23-2)10-7-15-8-11-17(18(21)12-15)20(22)24-3/h6-13,21H,4-5H2,1-3H3.
What are the key properties of methyl 2-hydroxy-4-[2-(2-methoxy-4-propylphenyl)ethenyl]benzoate?
methyl 2-hydroxy-4-[2-(2-methoxy-4-propylphenyl)ethenyl]benzoate has a molecular weight of 326.39 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-[2-(2-methoxy-4-propylphenyl)ethenyl]benzoate is sourced from PubChem (CID 67364154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).