methyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate

C15H16O3 — CID 101123064

IUPACmethyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate
SMILESC/C=C/[C@H]1OC(C(=O)OC)=C[C@H]1c1ccccc1
InChIInChI=1S/C15H16O3/c1-3-7-13-12(11-8-5-4-6-9-11)10-14(18-13)15(16)17-2/h3-10,12-13H,1-2H3/b7-3+/t12-,13+/m0/s1
InChIKeyBQOVNJIAZGFJJR-XBFYPFSCSA-N
MW244.29 g/mol
LogP2.80
Rot. Bonds3

About methyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate

methyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate (PubChem CID 101123064) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate
PubChem CID101123064
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namemethyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate
SMILESC/C=C/[C@H]1OC(C(=O)OC)=C[C@H]1c1ccccc1
InChIInChI=1S/C15H16O3/c1-3-7-13-12(11-8-5-4-6-9-11)10-14(18-13)15(16)17-2/h3-10,12-13H,1-2H3/b7-3+/t12-,13+/m0/s1
InChIKeyBQOVNJIAZGFJJR-XBFYPFSCSA-N
XLogP2.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
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methyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate
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methyl (E)-3-[(2S,3S)-3-phenyloxiran-2-yl]prop-2-enoate
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phenyl-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]methanone
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methyl (3R,4R)-4-methyl-3-phenylcycloheptene-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate?
The IUPAC name of methyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate (CID 101123064) is methyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate.
What is the SMILES notation for methyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate?
The canonical SMILES for methyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate is C/C=C/[C@H]1OC(C(=O)OC)=C[C@H]1c1ccccc1.
What is the InChIKey of methyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate?
The InChIKey is BQOVNJIAZGFJJR-XBFYPFSCSA-N. The full InChI is InChI=1S/C15H16O3/c1-3-7-13-12(11-8-5-4-6-9-11)10-14(18-13)15(16)17-2/h3-10,12-13H,1-2H3/b7-3+/t12-,13+/m0/s1.
What are the key properties of methyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate?
methyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate is sourced from PubChem (CID 101123064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).