2-[5-(2-methoxy-3,5-dimethylphenyl)furan-2-yl]acetic acid

C15H16O4 — CID 82368586

IUPAC2-[5-(2-methoxy-3,5-dimethylphenyl)furan-2-yl]acetic acid
SMILESCOc1c(C)cc(C)cc1-c1ccc(CC(=O)O)o1
InChIInChI=1S/C15H16O4/c1-9-6-10(2)15(18-3)12(7-9)13-5-4-11(19-13)8-14(16)17/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeySDBJYBXZSAXCJI-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.20
Rot. Bonds4

About 2-[5-(2-methoxy-3,5-dimethylphenyl)furan-2-yl]acetic acid

2-[5-(2-methoxy-3,5-dimethylphenyl)furan-2-yl]acetic acid (PubChem CID 82368586) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[5-(2-methoxy-3,5-dimethylphenyl)furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-methoxy-3,5-dimethylphenyl)furan-2-yl]acetic acid
PubChem CID82368586
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name2-[5-(2-methoxy-3,5-dimethylphenyl)furan-2-yl]acetic acid
SMILESCOc1c(C)cc(C)cc1-c1ccc(CC(=O)O)o1
InChIInChI=1S/C15H16O4/c1-9-6-10(2)15(18-3)12(7-9)13-5-4-11(19-13)8-14(16)17/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeySDBJYBXZSAXCJI-UHFFFAOYSA-N
XLogP3.20
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(3-methylphenyl)furan-2-yl]acetic acid
CID 35754290
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82295702
2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82301640
2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid
CID 82306329
2-[5-(3-bromo-4-methylphenyl)furan-2-yl]acetic acid
CID 82124548
2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid
CID 82119352
2-(2-methoxy-3,5-dimethylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 82484966
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868943
2-(2-methoxy-3,5-dimethylphenoxy)acetic acid
CID 84677573
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 20750468

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxy-3,5-dimethylphenyl)furan-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-methoxy-3,5-dimethylphenyl)furan-2-yl]acetic acid (CID 82368586) is 2-[5-(2-methoxy-3,5-dimethylphenyl)furan-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-methoxy-3,5-dimethylphenyl)furan-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-methoxy-3,5-dimethylphenyl)furan-2-yl]acetic acid is COc1c(C)cc(C)cc1-c1ccc(CC(=O)O)o1.
What is the InChIKey of 2-[5-(2-methoxy-3,5-dimethylphenyl)furan-2-yl]acetic acid?
The InChIKey is SDBJYBXZSAXCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-9-6-10(2)15(18-3)12(7-9)13-5-4-11(19-13)8-14(16)17/h4-7H,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[5-(2-methoxy-3,5-dimethylphenyl)furan-2-yl]acetic acid?
2-[5-(2-methoxy-3,5-dimethylphenyl)furan-2-yl]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxy-3,5-dimethylphenyl)furan-2-yl]acetic acid is sourced from PubChem (CID 82368586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).