6-hydroxy-1-[2-[(E)-5-hydroxypent-3-enyl]phenyl]hexan-2-one

C17H24O3 — CID 101145724

IUPAC6-hydroxy-1-[2-[(E)-5-hydroxypent-3-enyl]phenyl]hexan-2-one
SMILESO=C(CCCCO)Cc1ccccc1CC/C=C/CO
InChIInChI=1S/C17H24O3/c18-12-6-1-2-8-15-9-3-4-10-16(15)14-17(20)11-5-7-13-19/h1,3-4,6,9-10,18-19H,2,5,7-8,11-14H2/b6-1+
InChIKeyIHVZACSTTNLSRN-LZCJLJQNSA-N
MW276.38 g/mol
LogP2.44
Rot. Bonds10

About 6-hydroxy-1-[2-[(E)-5-hydroxypent-3-enyl]phenyl]hexan-2-one

6-hydroxy-1-[2-[(E)-5-hydroxypent-3-enyl]phenyl]hexan-2-one (PubChem CID 101145724) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-hydroxy-1-[2-[(E)-5-hydroxypent-3-enyl]phenyl]hexan-2-one.

Molecular Properties

Compound Name6-hydroxy-1-[2-[(E)-5-hydroxypent-3-enyl]phenyl]hexan-2-one
PubChem CID101145724
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name6-hydroxy-1-[2-[(E)-5-hydroxypent-3-enyl]phenyl]hexan-2-one
SMILESO=C(CCCCO)Cc1ccccc1CC/C=C/CO
InChIInChI=1S/C17H24O3/c18-12-6-1-2-8-15-9-3-4-10-16(15)14-17(20)11-5-7-13-19/h1,3-4,6,9-10,18-19H,2,5,7-8,11-14H2/b6-1+
InChIKeyIHVZACSTTNLSRN-LZCJLJQNSA-N
XLogP2.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
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

2-[(E)-5-hydroxypent-3-enyl]phenol
CID 57337479
3-[2-(5-hydroxypentyl)phenyl]propanoic acid
CID 19921971
1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one
CID 106677607
5-(4-chlorophenyl)-1-[2-(hydroxymethyl)phenyl]pentan-2-one
CID 161496887
1-(4-chlorophenyl)-8-hydroxyoctan-2-one
CID 57297680
1-(2-methylphenyl)heptan-2-one
CID 61055450
1,11-dihydroxyundecan-6-one
CID 14015246
5-(2-aminophenyl)pent-2-enoic acid
CID 174865194
N-[2-(4-hydroxybutyl)phenyl]acetamide
CID 105460610
1-hept-3-enyl-2-propylbenzene
CID 91473483
[(E)-11-hydroxy-7-oxo-1-phenylundec-2-enyl] acetate
CID 135077924
2-benzyl-N-(6-hydroxyhexanoyl)benzamide
CID 88504632

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[2-[(E)-5-hydroxypent-3-enyl]phenyl]hexan-2-one?
The IUPAC name of 6-hydroxy-1-[2-[(E)-5-hydroxypent-3-enyl]phenyl]hexan-2-one (CID 101145724) is 6-hydroxy-1-[2-[(E)-5-hydroxypent-3-enyl]phenyl]hexan-2-one.
What is the SMILES notation for 6-hydroxy-1-[2-[(E)-5-hydroxypent-3-enyl]phenyl]hexan-2-one?
The canonical SMILES for 6-hydroxy-1-[2-[(E)-5-hydroxypent-3-enyl]phenyl]hexan-2-one is O=C(CCCCO)Cc1ccccc1CC/C=C/CO.
What is the InChIKey of 6-hydroxy-1-[2-[(E)-5-hydroxypent-3-enyl]phenyl]hexan-2-one?
The InChIKey is IHVZACSTTNLSRN-LZCJLJQNSA-N. The full InChI is InChI=1S/C17H24O3/c18-12-6-1-2-8-15-9-3-4-10-16(15)14-17(20)11-5-7-13-19/h1,3-4,6,9-10,18-19H,2,5,7-8,11-14H2/b6-1+.
What are the key properties of 6-hydroxy-1-[2-[(E)-5-hydroxypent-3-enyl]phenyl]hexan-2-one?
6-hydroxy-1-[2-[(E)-5-hydroxypent-3-enyl]phenyl]hexan-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[2-[(E)-5-hydroxypent-3-enyl]phenyl]hexan-2-one is sourced from PubChem (CID 101145724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).