5-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxylic acid

C22H22O6 — CID 151052799

IUPAC5-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxylic acid
SMILESCOc1cc(Cc2cc(-c3ccc(C)cc3)oc2C(=O)O)cc(OC)c1OC
InChIInChI=1S/C22H22O6/c1-13-5-7-15(8-6-13)17-12-16(20(28-17)22(23)24)9-14-10-18(25-2)21(27-4)19(11-14)26-3/h5-8,10-12H,9H2,1-4H3,(H,23,24)
InChIKeyMEMIJFCYEUOGSO-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.57
Rot. Bonds7

About 5-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxylic acid

5-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxylic acid (PubChem CID 151052799) has the molecular formula C22H22O6 and a molecular weight of 382.41 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxylic acid
PubChem CID151052799
Molecular FormulaC22H22O6
Molecular Weight382.41 g/mol
Exact Mass382.14
IUPAC Name5-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxylic acid
SMILESCOc1cc(Cc2cc(-c3ccc(C)cc3)oc2C(=O)O)cc(OC)c1OC
InChIInChI=1S/C22H22O6/c1-13-5-7-15(8-6-13)17-12-16(20(28-17)22(23)24)9-14-10-18(25-2)21(27-4)19(11-14)26-3/h5-8,10-12H,9H2,1-4H3,(H,23,24)
InChIKeyMEMIJFCYEUOGSO-UHFFFAOYSA-N
XLogP4.57
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4,5-trimethoxyphenyl)methyl]furan-3-carboxylic acid
CID 10085700
2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid
CID 142869564
7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 158483004
N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7598419
3-(bromomethyl)-5-(4-chlorophenyl)furan-2-carboxylic acid
CID 58387745
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
2-methyl-5-(4-methylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3863074
4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid
CID 84673879
5-(4-methylphenyl)-8-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrano[3,4-b]pyridine-6-carboxamide
CID 18387225
(4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 7926501
3-(4-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 16574584
N-[1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-[(3,4,5-trimethoxyphenyl)methylamino]prop-1-en-2-yl]benzamide
CID 3990191

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxylic acid (CID 151052799) is 5-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxylic acid is COc1cc(Cc2cc(-c3ccc(C)cc3)oc2C(=O)O)cc(OC)c1OC.
What is the InChIKey of 5-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxylic acid?
The InChIKey is MEMIJFCYEUOGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O6/c1-13-5-7-15(8-6-13)17-12-16(20(28-17)22(23)24)9-14-10-18(25-2)21(27-4)19(11-14)26-3/h5-8,10-12H,9H2,1-4H3,(H,23,24).
What are the key properties of 5-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxylic acid?
5-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxylic acid has a molecular weight of 382.41 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 151052799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).