[(1S,2S)-2-[(1R)-1-hydroxyprop-2-enyl]cyclopentyl]-phenylmethanone

C15H18O2 — CID 46221668

IUPAC[(1S,2S)-2-[(1R)-1-hydroxyprop-2-enyl]cyclopentyl]-phenylmethanone
SMILESC=C[C@@H](O)[C@H]1CCC[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C15H18O2/c1-2-14(16)12-9-6-10-13(12)15(17)11-7-4-3-5-8-11/h2-5,7-8,12-14,16H,1,6,9-10H2/t12-,13-,14+/m0/s1
InChIKeyHGVKRIRTHPGYPO-MELADBBJSA-N
MW230.31 g/mol
LogP2.83
Rot. Bonds4

About [(1S,2S)-2-[(1R)-1-hydroxyprop-2-enyl]cyclopentyl]-phenylmethanone

[(1S,2S)-2-[(1R)-1-hydroxyprop-2-enyl]cyclopentyl]-phenylmethanone (PubChem CID 46221668) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is [(1S,2S)-2-[(1R)-1-hydroxyprop-2-enyl]cyclopentyl]-phenylmethanone.

Molecular Properties

Compound Name[(1S,2S)-2-[(1R)-1-hydroxyprop-2-enyl]cyclopentyl]-phenylmethanone
PubChem CID46221668
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name[(1S,2S)-2-[(1R)-1-hydroxyprop-2-enyl]cyclopentyl]-phenylmethanone
SMILESC=C[C@@H](O)[C@H]1CCC[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C15H18O2/c1-2-14(16)12-9-6-10-13(12)15(17)11-7-4-3-5-8-11/h2-5,7-8,12-14,16H,1,6,9-10H2/t12-,13-,14+/m0/s1
InChIKeyHGVKRIRTHPGYPO-MELADBBJSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid
CID 54436723
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
2-benzoylcyclohexane-1-carbaldehyde
CID 174762479
[(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone
CID 14120313
(2-chlorocyclohexyl)-phenylmethanone
CID 15563657
2-benzoylcyclohexane-1-carbonyl chloride
CID 22288669
(2-methylcyclohexyl)-phenylmethanone
CID 13148606
trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
[(4R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 134840498
2-[(1R,2S)-2-benzoylcyclohexyl]-1-phenylethanone
CID 15890035
2-[(1S,2R)-2-benzoylcyclohexyl]-1-phenylethanone
CID 11289756
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[(1R)-1-hydroxyprop-2-enyl]cyclopentyl]-phenylmethanone?
The IUPAC name of [(1S,2S)-2-[(1R)-1-hydroxyprop-2-enyl]cyclopentyl]-phenylmethanone (CID 46221668) is [(1S,2S)-2-[(1R)-1-hydroxyprop-2-enyl]cyclopentyl]-phenylmethanone.
What is the SMILES notation for [(1S,2S)-2-[(1R)-1-hydroxyprop-2-enyl]cyclopentyl]-phenylmethanone?
The canonical SMILES for [(1S,2S)-2-[(1R)-1-hydroxyprop-2-enyl]cyclopentyl]-phenylmethanone is C=C[C@@H](O)[C@H]1CCC[C@@H]1C(=O)c1ccccc1.
What is the InChIKey of [(1S,2S)-2-[(1R)-1-hydroxyprop-2-enyl]cyclopentyl]-phenylmethanone?
The InChIKey is HGVKRIRTHPGYPO-MELADBBJSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-14(16)12-9-6-10-13(12)15(17)11-7-4-3-5-8-11/h2-5,7-8,12-14,16H,1,6,9-10H2/t12-,13-,14+/m0/s1.
What are the key properties of [(1S,2S)-2-[(1R)-1-hydroxyprop-2-enyl]cyclopentyl]-phenylmethanone?
[(1S,2S)-2-[(1R)-1-hydroxyprop-2-enyl]cyclopentyl]-phenylmethanone has a molecular weight of 230.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[(1R)-1-hydroxyprop-2-enyl]cyclopentyl]-phenylmethanone is sourced from PubChem (CID 46221668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).