5-hydroxy-7-phenylhept-1-en-3-one

C13H16O2 — CID 71376612

IUPAC5-hydroxy-7-phenylhept-1-en-3-one
SMILESC=CC(=O)CC(O)CCc1ccccc1
InChIInChI=1S/C13H16O2/c1-2-12(14)10-13(15)9-8-11-6-4-3-5-7-11/h2-7,13,15H,1,8-10H2
InChIKeyFEMJYBVBQDKCMR-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.13
Rot. Bonds6

About 5-hydroxy-7-phenylhept-1-en-3-one

5-hydroxy-7-phenylhept-1-en-3-one (PubChem CID 71376612) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-hydroxy-7-phenylhept-1-en-3-one.

Molecular Properties

Compound Name5-hydroxy-7-phenylhept-1-en-3-one
PubChem CID71376612
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name5-hydroxy-7-phenylhept-1-en-3-one
SMILESC=CC(=O)CC(O)CCc1ccccc1
InChIInChI=1S/C13H16O2/c1-2-12(14)10-13(15)9-8-11-6-4-3-5-7-11/h2-7,13,15H,1,8-10H2
InChIKeyFEMJYBVBQDKCMR-UHFFFAOYSA-N
XLogP2.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-8-phenyloct-2-en-4-one
CID 71376619
4-hydroxy-1,6-diphenylhexan-2-one
CID 24881473
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
methyl (3S)-3-hydroxy-5-phenylpentanoate
CID 11745842
5-(chloromethyl)-1-phenylhex-5-en-3-ol
CID 15313184
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol
CID 101388257
S-tert-butyl (3S)-3-hydroxy-5-phenylpentanethioate
CID 10956476
1-phenylhept-6-yn-3-ol
CID 63657298
3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 11381046
(2-hydroxy-4-phenylbutyl) carbamate
CID 67337427
3-hydroxy-6-phenylhexanethioic S-acid
CID 87597942

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-phenylhept-1-en-3-one?
The IUPAC name of 5-hydroxy-7-phenylhept-1-en-3-one (CID 71376612) is 5-hydroxy-7-phenylhept-1-en-3-one.
What is the SMILES notation for 5-hydroxy-7-phenylhept-1-en-3-one?
The canonical SMILES for 5-hydroxy-7-phenylhept-1-en-3-one is C=CC(=O)CC(O)CCc1ccccc1.
What is the InChIKey of 5-hydroxy-7-phenylhept-1-en-3-one?
The InChIKey is FEMJYBVBQDKCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-12(14)10-13(15)9-8-11-6-4-3-5-7-11/h2-7,13,15H,1,8-10H2.
What are the key properties of 5-hydroxy-7-phenylhept-1-en-3-one?
5-hydroxy-7-phenylhept-1-en-3-one has a molecular weight of 204.27 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-phenylhept-1-en-3-one is sourced from PubChem (CID 71376612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).