(E)-1-(4-chlorophenyl)non-2-en-1-ol

C15H21ClO — CID 11184335

IUPAC(E)-1-(4-chlorophenyl)non-2-en-1-ol
SMILESCCCCCC/C=C/C(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClO/c1-2-3-4-5-6-7-8-15(17)13-9-11-14(16)12-10-13/h7-12,15,17H,2-6H2,1H3/b8-7+
InChIKeyOALCPXZJJIGJBU-BQYQJAHWSA-N
MW252.79 g/mol
LogP4.90
Rot. Bonds7

About (E)-1-(4-chlorophenyl)non-2-en-1-ol

(E)-1-(4-chlorophenyl)non-2-en-1-ol (PubChem CID 11184335) has the molecular formula C15H21ClO and a molecular weight of 252.79 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)non-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)non-2-en-1-ol
PubChem CID11184335
Molecular FormulaC15H21ClO
Molecular Weight252.79 g/mol
Exact Mass252.13
IUPAC Name(E)-1-(4-chlorophenyl)non-2-en-1-ol
SMILESCCCCCC/C=C/C(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClO/c1-2-3-4-5-6-7-8-15(17)13-9-11-14(16)12-10-13/h7-12,15,17H,2-6H2,1H3/b8-7+
InChIKeyOALCPXZJJIGJBU-BQYQJAHWSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)non-2-en-1-ol?
The IUPAC name of (E)-1-(4-chlorophenyl)non-2-en-1-ol (CID 11184335) is (E)-1-(4-chlorophenyl)non-2-en-1-ol.
What is the SMILES notation for (E)-1-(4-chlorophenyl)non-2-en-1-ol?
The canonical SMILES for (E)-1-(4-chlorophenyl)non-2-en-1-ol is CCCCCC/C=C/C(O)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)non-2-en-1-ol?
The InChIKey is OALCPXZJJIGJBU-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H21ClO/c1-2-3-4-5-6-7-8-15(17)13-9-11-14(16)12-10-13/h7-12,15,17H,2-6H2,1H3/b8-7+.
What are the key properties of (E)-1-(4-chlorophenyl)non-2-en-1-ol?
(E)-1-(4-chlorophenyl)non-2-en-1-ol has a molecular weight of 252.79 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)non-2-en-1-ol is sourced from PubChem (CID 11184335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).