5-[(E)-1-hydroxy-6-phenylmethoxyhex-2-enyl]cyclopent-2-en-1-one

C18H22O3 — CID 14737833

IUPAC5-[(E)-1-hydroxy-6-phenylmethoxyhex-2-enyl]cyclopent-2-en-1-one
SMILESO=C1C=CCC1C(O)/C=C/CCCOCc1ccccc1
InChIInChI=1S/C18H22O3/c19-17(16-10-7-12-18(16)20)11-5-2-6-13-21-14-15-8-3-1-4-9-15/h1,3-5,7-9,11-12,16-17,19H,2,6,10,13-14H2/b11-5+
InChIKeyDEEJRCLVWOXDPM-VZUCSPMQSA-N
MW286.37 g/mol
LogP3.05
Rot. Bonds8

About 5-[(E)-1-hydroxy-6-phenylmethoxyhex-2-enyl]cyclopent-2-en-1-one

5-[(E)-1-hydroxy-6-phenylmethoxyhex-2-enyl]cyclopent-2-en-1-one (PubChem CID 14737833) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-[(E)-1-hydroxy-6-phenylmethoxyhex-2-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name5-[(E)-1-hydroxy-6-phenylmethoxyhex-2-enyl]cyclopent-2-en-1-one
PubChem CID14737833
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name5-[(E)-1-hydroxy-6-phenylmethoxyhex-2-enyl]cyclopent-2-en-1-one
SMILESO=C1C=CCC1C(O)/C=C/CCCOCc1ccccc1
InChIInChI=1S/C18H22O3/c19-17(16-10-7-12-18(16)20)11-5-2-6-13-21-14-15-8-3-1-4-9-15/h1,3-5,7-9,11-12,16-17,19H,2,6,10,13-14H2/b11-5+
InChIKeyDEEJRCLVWOXDPM-VZUCSPMQSA-N
XLogP3.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E,2S)-2-hydroxy-8-phenylmethoxyoct-3-eneperoxoate
CID 139266600
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
5-nitropent-4-enoxymethylbenzene
CID 85369465
[(E)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-enoxy]methylbenzene
CID 135034391
undec-4-enoxymethylbenzene
CID 158781580
(5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one
CID 11153460
(5R)-5-[(2S,5S)-5-[(E,1R)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one
CID 11440640
methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate
CID 10827220
[(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene
CID 162559957
(E)-1-phenylmethoxyhept-3-en-2-ol
CID 134897437
2-methyl-6-phenylmethoxyhex-2-enoic acid
CID 66912433
ethyl (2E,4E)-8-phenylmethoxyocta-2,4-dienoate
CID 11097751

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-hydroxy-6-phenylmethoxyhex-2-enyl]cyclopent-2-en-1-one?
The IUPAC name of 5-[(E)-1-hydroxy-6-phenylmethoxyhex-2-enyl]cyclopent-2-en-1-one (CID 14737833) is 5-[(E)-1-hydroxy-6-phenylmethoxyhex-2-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 5-[(E)-1-hydroxy-6-phenylmethoxyhex-2-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 5-[(E)-1-hydroxy-6-phenylmethoxyhex-2-enyl]cyclopent-2-en-1-one is O=C1C=CCC1C(O)/C=C/CCCOCc1ccccc1.
What is the InChIKey of 5-[(E)-1-hydroxy-6-phenylmethoxyhex-2-enyl]cyclopent-2-en-1-one?
The InChIKey is DEEJRCLVWOXDPM-VZUCSPMQSA-N. The full InChI is InChI=1S/C18H22O3/c19-17(16-10-7-12-18(16)20)11-5-2-6-13-21-14-15-8-3-1-4-9-15/h1,3-5,7-9,11-12,16-17,19H,2,6,10,13-14H2/b11-5+.
What are the key properties of 5-[(E)-1-hydroxy-6-phenylmethoxyhex-2-enyl]cyclopent-2-en-1-one?
5-[(E)-1-hydroxy-6-phenylmethoxyhex-2-enyl]cyclopent-2-en-1-one has a molecular weight of 286.37 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1-hydroxy-6-phenylmethoxyhex-2-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 14737833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).