1-[(1R,2R)-2-methoxycyclopentyl]-3,3-diphenylprop-2-en-1-one

C21H22O2 — CID 102475755

IUPAC1-[(1R,2R)-2-methoxycyclopentyl]-3,3-diphenylprop-2-en-1-one
SMILESCO[C@@H]1CCC[C@H]1C(=O)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22O2/c1-23-21-14-8-13-18(21)20(22)15-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18,21H,8,13-14H2,1H3/t18-,21+/m0/s1
InChIKeyHYAZKJVFLJURLE-GHTZIAJQSA-N
MW306.41 g/mol
LogP4.50
Rot. Bonds5

About 1-[(1R,2R)-2-methoxycyclopentyl]-3,3-diphenylprop-2-en-1-one

1-[(1R,2R)-2-methoxycyclopentyl]-3,3-diphenylprop-2-en-1-one (PubChem CID 102475755) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(1R,2R)-2-methoxycyclopentyl]-3,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name1-[(1R,2R)-2-methoxycyclopentyl]-3,3-diphenylprop-2-en-1-one
PubChem CID102475755
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name1-[(1R,2R)-2-methoxycyclopentyl]-3,3-diphenylprop-2-en-1-one
SMILESCO[C@@H]1CCC[C@H]1C(=O)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22O2/c1-23-21-14-8-13-18(21)20(22)15-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18,21H,8,13-14H2,1H3/t18-,21+/m0/s1
InChIKeyHYAZKJVFLJURLE-GHTZIAJQSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-methoxycyclopentyl]-3,3-diphenylprop-2-en-1-one?
The IUPAC name of 1-[(1R,2R)-2-methoxycyclopentyl]-3,3-diphenylprop-2-en-1-one (CID 102475755) is 1-[(1R,2R)-2-methoxycyclopentyl]-3,3-diphenylprop-2-en-1-one.
What is the SMILES notation for 1-[(1R,2R)-2-methoxycyclopentyl]-3,3-diphenylprop-2-en-1-one?
The canonical SMILES for 1-[(1R,2R)-2-methoxycyclopentyl]-3,3-diphenylprop-2-en-1-one is CO[C@@H]1CCC[C@H]1C(=O)C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(1R,2R)-2-methoxycyclopentyl]-3,3-diphenylprop-2-en-1-one?
The InChIKey is HYAZKJVFLJURLE-GHTZIAJQSA-N. The full InChI is InChI=1S/C21H22O2/c1-23-21-14-8-13-18(21)20(22)15-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18,21H,8,13-14H2,1H3/t18-,21+/m0/s1.
What are the key properties of 1-[(1R,2R)-2-methoxycyclopentyl]-3,3-diphenylprop-2-en-1-one?
1-[(1R,2R)-2-methoxycyclopentyl]-3,3-diphenylprop-2-en-1-one has a molecular weight of 306.41 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-methoxycyclopentyl]-3,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 102475755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).