5-(4-butan-2-ylphenyl)furan-2-carboxylic acid

C15H16O3 — CID 63423966

IUPAC5-(4-butan-2-ylphenyl)furan-2-carboxylic acid
SMILESCCC(C)c1ccc(-c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C15H16O3/c1-3-10(2)11-4-6-12(7-5-11)13-8-9-14(18-13)15(16)17/h4-10H,3H2,1-2H3,(H,16,17)
InChIKeyAZNLZVGFHJLSCX-UHFFFAOYSA-N
MW244.29 g/mol
LogP4.16
Rot. Bonds4

About 5-(4-butan-2-ylphenyl)furan-2-carboxylic acid

5-(4-butan-2-ylphenyl)furan-2-carboxylic acid (PubChem CID 63423966) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(4-butan-2-ylphenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-butan-2-ylphenyl)furan-2-carboxylic acid
PubChem CID63423966
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name5-(4-butan-2-ylphenyl)furan-2-carboxylic acid
SMILESCCC(C)c1ccc(-c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C15H16O3/c1-3-10(2)11-4-6-12(7-5-11)13-8-9-14(18-13)15(16)17/h4-10H,3H2,1-2H3,(H,16,17)
InChIKeyAZNLZVGFHJLSCX-UHFFFAOYSA-N
XLogP4.16
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(1,2,3-trihydroxypropyl)phenyl]furan-2-carboxylic acid
CID 170818849
5-[[4-[(2S)-butan-2-yl]phenoxy]methyl]furan-2-carboxylic acid
CID 725859
5-[4-(2-methylbutan-2-yl)phenyl]furan-2-carboxylic acid
CID 66257827
5-[4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)phenyl]furan-2-carboxylic acid
CID 171865067
5-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688533
cyclopenta[b]pyran-2-carboxylic acid
CID 141029031
5-[4-(2-cyano-1,2-dihydroxyethyl)phenyl]furan-2-carboxylic acid
CID 171871244
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate
CID 20750206
2-[(4-butan-2-ylphenyl)methyl]butanoic acid
CID 116930604
5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid
CID 152990404
1-(5-phenylfuran-2-yl)propan-1-one
CID 62631331

Frequently Asked Questions

What is the IUPAC name of 5-(4-butan-2-ylphenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(4-butan-2-ylphenyl)furan-2-carboxylic acid (CID 63423966) is 5-(4-butan-2-ylphenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-butan-2-ylphenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-butan-2-ylphenyl)furan-2-carboxylic acid is CCC(C)c1ccc(-c2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-(4-butan-2-ylphenyl)furan-2-carboxylic acid?
The InChIKey is AZNLZVGFHJLSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-3-10(2)11-4-6-12(7-5-11)13-8-9-14(18-13)15(16)17/h4-10H,3H2,1-2H3,(H,16,17).
What are the key properties of 5-(4-butan-2-ylphenyl)furan-2-carboxylic acid?
5-(4-butan-2-ylphenyl)furan-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butan-2-ylphenyl)furan-2-carboxylic acid is sourced from PubChem (CID 63423966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).