2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid

C22H22O5 — CID 142869564

IUPAC2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid
SMILESCOc1cc(OCc2cc(-c3ccc(C)cc3)oc2C)ccc1CC(=O)O
InChIInChI=1S/C22H22O5/c1-14-4-6-16(7-5-14)21-10-18(15(2)27-21)13-26-19-9-8-17(11-22(23)24)20(12-19)25-3/h4-10,12H,11,13H2,1-3H3,(H,23,24)
InChIKeyFDSHJVIIDJLJGY-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.78
Rot. Bonds7

About 2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid

2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid (PubChem CID 142869564) has the molecular formula C22H22O5 and a molecular weight of 366.41 g/mol. Its IUPAC name is 2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid
PubChem CID142869564
Molecular FormulaC22H22O5
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC Name2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid
SMILESCOc1cc(OCc2cc(-c3ccc(C)cc3)oc2C)ccc1CC(=O)O
InChIInChI=1S/C22H22O5/c1-14-4-6-16(7-5-14)21-10-18(15(2)27-21)13-26-19-9-8-17(11-22(23)24)20(12-19)25-3/h4-10,12H,11,13H2,1-3H3,(H,23,24)
InChIKeyFDSHJVIIDJLJGY-UHFFFAOYSA-N
XLogP4.78
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[[3-methyl-4-(2-methylpropyl)phenoxy]methyl]-5-(4-methylphenyl)furan
CID 70996771
(3S)-3-[4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid
CID 24897890
4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 68919722
3-methoxy-4-[(4-methylphenoxy)methyl]phenol
CID 117219725
2-[[3-[[5-(4-fluorophenyl)-2-methylfuran-3-yl]methoxy]phenyl]methylsulfanyl]acetic acid
CID 91412568
[2-methyl-5-(4-methylphenyl)furan-3-yl]methanol
CID 23074335
3-(4-ethoxy-2-methoxyphenyl)propanoic acid
CID 97034664
2-(2-methoxy-4-phenylphenyl)acetic acid
CID 23503476
5-methyl-4-[[6-(4-methylphenyl)-3-pyridinyl]oxymethyl]furan-2-carboxylic acid
CID 142927254
2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid
CID 91863926
5-(4-methylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxylic acid
CID 151052799
[4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate
CID 69145077

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid (CID 142869564) is 2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid is COc1cc(OCc2cc(-c3ccc(C)cc3)oc2C)ccc1CC(=O)O.
What is the InChIKey of 2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid?
The InChIKey is FDSHJVIIDJLJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O5/c1-14-4-6-16(7-5-14)21-10-18(15(2)27-21)13-26-19-9-8-17(11-22(23)24)20(12-19)25-3/h4-10,12H,11,13H2,1-3H3,(H,23,24).
What are the key properties of 2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid?
2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid has a molecular weight of 366.41 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 142869564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).