(5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid

C12H10O4 — CID 76969700

IUPAC(5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid
SMILESC[C@@]1(c2ccccc2)OC(C(=O)O)=CC1=O
InChIInChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)/t12-/m0/s1
InChIKeyDFDGRKNOFOJBAJ-LBPRGKRZSA-N
MW218.21 g/mol
LogP1.47
Rot. Bonds2

About (5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid

(5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid (PubChem CID 76969700) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is (5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid.

Molecular Properties

Compound Name(5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid
PubChem CID76969700
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name(5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid
SMILESC[C@@]1(c2ccccc2)OC(C(=O)O)=CC1=O
InChIInChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)/t12-/m0/s1
InChIKeyDFDGRKNOFOJBAJ-LBPRGKRZSA-N
XLogP1.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-5-methyl-4-oxo-5-phenylfuran-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-difluorophenyl)-5-methyl-4-oxofuran-2-carboxylic acid
CID 11322762
5-ethyl-4-oxo-5-phenylfuran-2-carboxylic acid
CID 11148966
5-benzyl-5-methyl-4-oxofuran-2-carboxylic acid
CID 117000037
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 58219015
(5R)-4-hydroxy-5-methyl-5-phenylfuran-2-one
CID 69070002
2-[2-[4-(2-methylpropyl)phenyl]acetyl]sulfanylethyl 5-methyl-4-oxo-5-phenylfuran-2-carboxylate
CID 89109549
N-[2-(docosa-4,7,10,13,16,19-hexaenoylamino)-2-methylpropyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 67092895
(5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one
CID 129405830
N-[2-[2-(icosa-5,8,11,14,17-pentaenoylamino)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 67092865
[5-(4-chlorophenyl)-5-methyl-4-oxofuran-2-yl] hydrogen carbonate
CID 70558652
N-[3-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]-2-piperazin-1-ylpropyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 67092953
1,3-dihydroxypropan-2-yl 4-[[(Z)-hex-3-enoyl]amino]-2-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]butanoate
CID 58219018

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid?
The IUPAC name of (5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid (CID 76969700) is (5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid.
What is the SMILES notation for (5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid?
The canonical SMILES for (5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid is C[C@@]1(c2ccccc2)OC(C(=O)O)=CC1=O.
What is the InChIKey of (5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid?
The InChIKey is DFDGRKNOFOJBAJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)/t12-/m0/s1.
What are the key properties of (5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid?
(5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid is sourced from PubChem (CID 76969700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).