(E)-8-chloro-1-phenyloct-4-en-2-ol

C14H19ClO — CID 102471896

IUPAC(E)-8-chloro-1-phenyloct-4-en-2-ol
SMILESOC(C/C=C/CCCCl)Cc1ccccc1
InChIInChI=1S/C14H19ClO/c15-11-7-2-1-6-10-14(16)12-13-8-4-3-5-9-13/h1,3-6,8-9,14,16H,2,7,10-12H2/b6-1+
InChIKeyVOEXYLUABYRCKC-LZCJLJQNSA-N
MW238.76 g/mol
LogP3.56
Rot. Bonds7

About (E)-8-chloro-1-phenyloct-4-en-2-ol

(E)-8-chloro-1-phenyloct-4-en-2-ol (PubChem CID 102471896) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is (E)-8-chloro-1-phenyloct-4-en-2-ol.

Molecular Properties

Compound Name(E)-8-chloro-1-phenyloct-4-en-2-ol
PubChem CID102471896
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name(E)-8-chloro-1-phenyloct-4-en-2-ol
SMILESOC(C/C=C/CCCCl)Cc1ccccc1
InChIInChI=1S/C14H19ClO/c15-11-7-2-1-6-10-14(16)12-13-8-4-3-5-9-13/h1,3-6,8-9,14,16H,2,7,10-12H2/b6-1+
InChIKeyVOEXYLUABYRCKC-LZCJLJQNSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-8-chloro-1-phenyloct-4-en-2-ol?
The IUPAC name of (E)-8-chloro-1-phenyloct-4-en-2-ol (CID 102471896) is (E)-8-chloro-1-phenyloct-4-en-2-ol.
What is the SMILES notation for (E)-8-chloro-1-phenyloct-4-en-2-ol?
The canonical SMILES for (E)-8-chloro-1-phenyloct-4-en-2-ol is OC(C/C=C/CCCCl)Cc1ccccc1.
What is the InChIKey of (E)-8-chloro-1-phenyloct-4-en-2-ol?
The InChIKey is VOEXYLUABYRCKC-LZCJLJQNSA-N. The full InChI is InChI=1S/C14H19ClO/c15-11-7-2-1-6-10-14(16)12-13-8-4-3-5-9-13/h1,3-6,8-9,14,16H,2,7,10-12H2/b6-1+.
What are the key properties of (E)-8-chloro-1-phenyloct-4-en-2-ol?
(E)-8-chloro-1-phenyloct-4-en-2-ol has a molecular weight of 238.76 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-chloro-1-phenyloct-4-en-2-ol is sourced from PubChem (CID 102471896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).