(E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one

C15H19ClO2 — CID 11242590

IUPAC(E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one
SMILESCCCCC(=O)C(Cl)C(O)/C=C/c1ccccc1
InChIInChI=1S/C15H19ClO2/c1-2-3-9-13(17)15(16)14(18)11-10-12-7-5-4-6-8-12/h4-8,10-11,14-15,18H,2-3,9H2,1H3/b11-10+
InChIKeyPWTSOKPNUBZYKO-ZHACJKMWSA-N
MW266.77 g/mol
LogP3.43
Rot. Bonds7

About (E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one

(E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one (PubChem CID 11242590) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is (E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one.

Molecular Properties

Compound Name(E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one
PubChem CID11242590
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name(E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one
SMILESCCCCC(=O)C(Cl)C(O)/C=C/c1ccccc1
InChIInChI=1S/C15H19ClO2/c1-2-3-9-13(17)15(16)14(18)11-10-12-7-5-4-6-8-12/h4-8,10-11,14-15,18H,2-3,9H2,1H3/b11-10+
InChIKeyPWTSOKPNUBZYKO-ZHACJKMWSA-N
XLogP3.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-1-hydroxy-3-phenylprop-2-enyl]octanoic acid
CID 146374482
(E,4R,5S)-5-hydroxy-4-methyl-7-phenylhept-6-en-3-one
CID 12031058
(E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one
CID 10380966
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
2-methylidene-3-(2-phenylethenyl)heptanoic acid
CID 54501886
methyl (E,4R,5S)-5-hydroxy-4-methyl-3-oxo-7-phenylhept-6-enoate
CID 101199751
3-hydroxy-2-methylidene-5-phenyl-1-tributylsilylpent-4-en-1-one
CID 139609799
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
pentanoic acid;3-phenylprop-2-enoic acid
CID 130331806
(E,3R,4S)-4-[(dimethylamino)methyl]-1-phenylnon-1-en-3-ol
CID 92970899
1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea
CID 142667053
(E,4S)-4-hydroxy-1-phenyloct-1-en-3-one
CID 100976642

Frequently Asked Questions

What is the IUPAC name of (E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one?
The IUPAC name of (E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one (CID 11242590) is (E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one.
What is the SMILES notation for (E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one?
The canonical SMILES for (E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one is CCCCC(=O)C(Cl)C(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one?
The InChIKey is PWTSOKPNUBZYKO-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H19ClO2/c1-2-3-9-13(17)15(16)14(18)11-10-12-7-5-4-6-8-12/h4-8,10-11,14-15,18H,2-3,9H2,1H3/b11-10+.
What are the key properties of (E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one?
(E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one has a molecular weight of 266.77 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one is sourced from PubChem (CID 11242590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).