5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid

C16H18O3 — CID 63424237

IUPAC5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid
SMILESCc1c(C)c(C)c(-c2ccc(C(=O)O)o2)c(C)c1C
InChIInChI=1S/C16H18O3/c1-8-9(2)11(4)15(12(5)10(8)3)13-6-7-14(19-13)16(17)18/h6-7H,1-5H3,(H,17,18)
InChIKeyPDIPDEMPKAYEJA-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.19
Rot. Bonds2

About 5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid

5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid (PubChem CID 63424237) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid
PubChem CID63424237
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid
SMILESCc1c(C)c(C)c(-c2ccc(C(=O)O)o2)c(C)c1C
InChIInChI=1S/C16H18O3/c1-8-9(2)11(4)15(12(5)10(8)3)13-6-7-14(19-13)16(17)18/h6-7H,1-5H3,(H,17,18)
InChIKeyPDIPDEMPKAYEJA-UHFFFAOYSA-N
XLogP4.19
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic 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

5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid
CID 82820130
5-(3-bromo-2-methylphenyl)furan-2-carboxylic acid
CID 107626669
5-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxylic acid
CID 63810885
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid
CID 103434041
5-(2-fluoro-6-formylphenyl)furan-2-carboxylic acid
CID 165484131
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid
CID 118346708
5-trimethylgermylfuran-2-carboxylic acid
CID 13199575
5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid
CID 97034386
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid (CID 63424237) is 5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid is Cc1c(C)c(C)c(-c2ccc(C(=O)O)o2)c(C)c1C.
What is the InChIKey of 5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid?
The InChIKey is PDIPDEMPKAYEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-8-9(2)11(4)15(12(5)10(8)3)13-6-7-14(19-13)16(17)18/h6-7H,1-5H3,(H,17,18).
What are the key properties of 5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid?
5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid is sourced from PubChem (CID 63424237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).