2,2-bis(furan-2-ylmethyl)pentanoic acid

C15H18O4 — CID 174666609

IUPAC2,2-bis(furan-2-ylmethyl)pentanoic acid
SMILESCCCC(Cc1ccco1)(Cc1ccco1)C(=O)O
InChIInChI=1S/C15H18O4/c1-2-7-15(14(16)17,10-12-5-3-8-18-12)11-13-6-4-9-19-13/h3-6,8-9H,2,7,10-11H2,1H3,(H,16,17)
InChIKeyQAGRYDHMDOKZIW-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.53
Rot. Bonds7

About 2,2-bis(furan-2-ylmethyl)pentanoic acid

2,2-bis(furan-2-ylmethyl)pentanoic acid (PubChem CID 174666609) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2,2-bis(furan-2-ylmethyl)pentanoic acid.

Molecular Properties

Compound Name2,2-bis(furan-2-ylmethyl)pentanoic acid
PubChem CID174666609
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name2,2-bis(furan-2-ylmethyl)pentanoic acid
SMILESCCCC(Cc1ccco1)(Cc1ccco1)C(=O)O
InChIInChI=1S/C15H18O4/c1-2-7-15(14(16)17,10-12-5-3-8-18-12)11-13-6-4-9-19-13/h3-6,8-9H,2,7,10-11H2,1H3,(H,16,17)
InChIKeyQAGRYDHMDOKZIW-UHFFFAOYSA-N
XLogP3.53
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-bis(furan-2-ylmethyl)pentanoic acid 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

2-ethyl-2-(furan-2-ylmethyl)hexanoic acid
CID 62998124
3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 62997938
2-(furan-2-ylmethyl)-2-methylbutanoic acid
CID 62998305
2-bromo-3-(furan-2-yl)-2-methylpropanoic acid
CID 67609490
diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate
CID 103972824
2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid
CID 55056222
2-[1,3-bis(furan-2-yl)-2-(furan-2-ylmethyl)propan-2-yl]-4-(furan-2-yl)but-2-enoic acid
CID 54506556
2,2-bis(pyridin-2-ylmethyl)pentanoic acid
CID 67287771
2-ethyl-2-[3-(furan-2-yl)propanoylamino]butanoic acid
CID 79807068
4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid
CID 65248066
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
2-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
CID 117048514

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(furan-2-ylmethyl)pentanoic acid?
The IUPAC name of 2,2-bis(furan-2-ylmethyl)pentanoic acid (CID 174666609) is 2,2-bis(furan-2-ylmethyl)pentanoic acid.
What is the SMILES notation for 2,2-bis(furan-2-ylmethyl)pentanoic acid?
The canonical SMILES for 2,2-bis(furan-2-ylmethyl)pentanoic acid is CCCC(Cc1ccco1)(Cc1ccco1)C(=O)O.
What is the InChIKey of 2,2-bis(furan-2-ylmethyl)pentanoic acid?
The InChIKey is QAGRYDHMDOKZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-2-7-15(14(16)17,10-12-5-3-8-18-12)11-13-6-4-9-19-13/h3-6,8-9H,2,7,10-11H2,1H3,(H,16,17).
What are the key properties of 2,2-bis(furan-2-ylmethyl)pentanoic acid?
2,2-bis(furan-2-ylmethyl)pentanoic acid has a molecular weight of 262.31 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(furan-2-ylmethyl)pentanoic acid is sourced from PubChem (CID 174666609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).