[(1R,5R)-2-diethoxyphosphoryl-5-(furan-2-yl)cyclopent-2-en-1-yl]-phenylmethanone

C20H23O5P — CID 102163838

IUPAC[(1R,5R)-2-diethoxyphosphoryl-5-(furan-2-yl)cyclopent-2-en-1-yl]-phenylmethanone
SMILESCCOP(=O)(OCC)C1=CC[C@@H](c2ccco2)[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C20H23O5P/c1-3-24-26(22,25-4-2)18-13-12-16(17-11-8-14-23-17)19(18)20(21)15-9-6-5-7-10-15/h5-11,13-14,16,19H,3-4,12H2,1-2H3/t16-,19-/m0/s1
InChIKeyFACKPESWRVWFAP-LPHOPBHVSA-N
MW374.37 g/mol
LogP5.42
Rot. Bonds8

About [(1R,5R)-2-diethoxyphosphoryl-5-(furan-2-yl)cyclopent-2-en-1-yl]-phenylmethanone

[(1R,5R)-2-diethoxyphosphoryl-5-(furan-2-yl)cyclopent-2-en-1-yl]-phenylmethanone (PubChem CID 102163838) has the molecular formula C20H23O5P and a molecular weight of 374.37 g/mol. Its IUPAC name is [(1R,5R)-2-diethoxyphosphoryl-5-(furan-2-yl)cyclopent-2-en-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(1R,5R)-2-diethoxyphosphoryl-5-(furan-2-yl)cyclopent-2-en-1-yl]-phenylmethanone
PubChem CID102163838
Molecular FormulaC20H23O5P
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Name[(1R,5R)-2-diethoxyphosphoryl-5-(furan-2-yl)cyclopent-2-en-1-yl]-phenylmethanone
SMILESCCOP(=O)(OCC)C1=CC[C@@H](c2ccco2)[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C20H23O5P/c1-3-24-26(22,25-4-2)18-13-12-16(17-11-8-14-23-17)19(18)20(21)15-9-6-5-7-10-15/h5-11,13-14,16,19H,3-4,12H2,1-2H3/t16-,19-/m0/s1
InChIKeyFACKPESWRVWFAP-LPHOPBHVSA-N
XLogP5.42
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.37
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-2-diethoxyphosphoryl-5-(furan-2-yl)cyclopent-2-en-1-yl]-phenylmethanone?
The IUPAC name of [(1R,5R)-2-diethoxyphosphoryl-5-(furan-2-yl)cyclopent-2-en-1-yl]-phenylmethanone (CID 102163838) is [(1R,5R)-2-diethoxyphosphoryl-5-(furan-2-yl)cyclopent-2-en-1-yl]-phenylmethanone.
What is the SMILES notation for [(1R,5R)-2-diethoxyphosphoryl-5-(furan-2-yl)cyclopent-2-en-1-yl]-phenylmethanone?
The canonical SMILES for [(1R,5R)-2-diethoxyphosphoryl-5-(furan-2-yl)cyclopent-2-en-1-yl]-phenylmethanone is CCOP(=O)(OCC)C1=CC[C@@H](c2ccco2)[C@@H]1C(=O)c1ccccc1.
What is the InChIKey of [(1R,5R)-2-diethoxyphosphoryl-5-(furan-2-yl)cyclopent-2-en-1-yl]-phenylmethanone?
The InChIKey is FACKPESWRVWFAP-LPHOPBHVSA-N. The full InChI is InChI=1S/C20H23O5P/c1-3-24-26(22,25-4-2)18-13-12-16(17-11-8-14-23-17)19(18)20(21)15-9-6-5-7-10-15/h5-11,13-14,16,19H,3-4,12H2,1-2H3/t16-,19-/m0/s1.
What are the key properties of [(1R,5R)-2-diethoxyphosphoryl-5-(furan-2-yl)cyclopent-2-en-1-yl]-phenylmethanone?
[(1R,5R)-2-diethoxyphosphoryl-5-(furan-2-yl)cyclopent-2-en-1-yl]-phenylmethanone has a molecular weight of 374.37 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-2-diethoxyphosphoryl-5-(furan-2-yl)cyclopent-2-en-1-yl]-phenylmethanone is sourced from PubChem (CID 102163838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).