[(2S)-3-hydroxy-2-methyl-2-phenylpropyl] furan-2-carboxylate

C15H16O4 — CID 11402713

IUPAC[(2S)-3-hydroxy-2-methyl-2-phenylpropyl] furan-2-carboxylate
SMILESC[C@](CO)(COC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C15H16O4/c1-15(10-16,12-6-3-2-4-7-12)11-19-14(17)13-8-5-9-18-13/h2-9,16H,10-11H2,1H3/t15-/m0/s1
InChIKeyOCRONQMLWGETFK-HNNXBMFYSA-N
MW260.29 g/mol
LogP2.39
Rot. Bonds5

About [(2S)-3-hydroxy-2-methyl-2-phenylpropyl] furan-2-carboxylate

[(2S)-3-hydroxy-2-methyl-2-phenylpropyl] furan-2-carboxylate (PubChem CID 11402713) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is [(2S)-3-hydroxy-2-methyl-2-phenylpropyl] furan-2-carboxylate.

Molecular Properties

Compound Name[(2S)-3-hydroxy-2-methyl-2-phenylpropyl] furan-2-carboxylate
PubChem CID11402713
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name[(2S)-3-hydroxy-2-methyl-2-phenylpropyl] furan-2-carboxylate
SMILESC[C@](CO)(COC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C15H16O4/c1-15(10-16,12-6-3-2-4-7-12)11-19-14(17)13-8-5-9-18-13/h2-9,16H,10-11H2,1H3/t15-/m0/s1
InChIKeyOCRONQMLWGETFK-HNNXBMFYSA-N
XLogP2.39
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bromomethyl furan-2-carboxylate
CID 54363056
1,1'-biphenyl;methyl furan-2-carboxylate
CID 159970386
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate
CID 7814464
3,3-dimethylhex-5-enyl furan-2-carboxylate
CID 134970089
3-(furan-2-carbonyloxy)propane-1-sulfonate
CID 140586101
(2-anilino-2-oxoethyl) furan-2-carboxylate
CID 2352919
[tert-butyl(dimethyl)silyl] furan-2-carboxylate
CID 580774
[(2R)-3-hydroxy-2-methyl-2-phenylpropyl] benzenesulfonate
CID 166174406
furan-2-carboxylic acid;methanamine
CID 82372767
(2-benzamido-2-oxoethyl) furan-2-carboxylate
CID 7486704
3-trimethylstannylpropyl furan-2-carboxylate
CID 12901421
3-(furan-2-carbonyloxy)propane-1-sulfonic acid
CID 88573646

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-hydroxy-2-methyl-2-phenylpropyl] furan-2-carboxylate?
The IUPAC name of [(2S)-3-hydroxy-2-methyl-2-phenylpropyl] furan-2-carboxylate (CID 11402713) is [(2S)-3-hydroxy-2-methyl-2-phenylpropyl] furan-2-carboxylate.
What is the SMILES notation for [(2S)-3-hydroxy-2-methyl-2-phenylpropyl] furan-2-carboxylate?
The canonical SMILES for [(2S)-3-hydroxy-2-methyl-2-phenylpropyl] furan-2-carboxylate is C[C@](CO)(COC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of [(2S)-3-hydroxy-2-methyl-2-phenylpropyl] furan-2-carboxylate?
The InChIKey is OCRONQMLWGETFK-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16O4/c1-15(10-16,12-6-3-2-4-7-12)11-19-14(17)13-8-5-9-18-13/h2-9,16H,10-11H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-3-hydroxy-2-methyl-2-phenylpropyl] furan-2-carboxylate?
[(2S)-3-hydroxy-2-methyl-2-phenylpropyl] furan-2-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-hydroxy-2-methyl-2-phenylpropyl] furan-2-carboxylate is sourced from PubChem (CID 11402713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).