(E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one

C16H20Cl2O2 — CID 10380966

IUPAC(E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one
SMILESCCCCCC(=O)C(Cl)(Cl)C(O)/C=C/c1ccccc1
InChIInChI=1S/C16H20Cl2O2/c1-2-3-5-10-14(19)16(17,18)15(20)12-11-13-8-6-4-7-9-13/h4,6-9,11-12,15,20H,2-3,5,10H2,1H3/b12-11+
InChIKeyWTVQONQXFCCWAO-VAWYXSNFSA-N
MW315.24 g/mol
LogP4.38
Rot. Bonds8

About (E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one

(E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one (PubChem CID 10380966) has the molecular formula C16H20Cl2O2 and a molecular weight of 315.24 g/mol. Its IUPAC name is (E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one.

Molecular Properties

Compound Name(E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one
PubChem CID10380966
Molecular FormulaC16H20Cl2O2
Molecular Weight315.24 g/mol
Exact Mass314.08
IUPAC Name(E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one
SMILESCCCCCC(=O)C(Cl)(Cl)C(O)/C=C/c1ccccc1
InChIInChI=1S/C16H20Cl2O2/c1-2-3-5-10-14(19)16(17,18)15(20)12-11-13-8-6-4-7-9-13/h4,6-9,11-12,15,20H,2-3,5,10H2,1H3/b12-11+
InChIKeyWTVQONQXFCCWAO-VAWYXSNFSA-N
XLogP4.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one
CID 11242590
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
1-phenylundec-1-en-3-one
CID 3805572
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
2-methylidene-3-(2-phenylethenyl)heptanoic acid
CID 54501886
3-hydroxy-2-methylidene-5-phenyl-1-tributylsilylpent-4-en-1-one
CID 139609799
(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
[(E,3R)-5-oxo-1-phenyldec-1-en-3-yl] benzoate
CID 165413328
(1E,3E)-1-phenylundeca-1,3-dien-5-one
CID 5373541
N-(3-phenylprop-2-enyl)hexanamide
CID 54485378

Frequently Asked Questions

What is the IUPAC name of (E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one?
The IUPAC name of (E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one (CID 10380966) is (E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one.
What is the SMILES notation for (E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one?
The canonical SMILES for (E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one is CCCCCC(=O)C(Cl)(Cl)C(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one?
The InChIKey is WTVQONQXFCCWAO-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H20Cl2O2/c1-2-3-5-10-14(19)16(17,18)15(20)12-11-13-8-6-4-7-9-13/h4,6-9,11-12,15,20H,2-3,5,10H2,1H3/b12-11+.
What are the key properties of (E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one?
(E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one has a molecular weight of 315.24 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one is sourced from PubChem (CID 10380966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).