4-(4-chlorophenyl)-3,6-diethylocta-4,5-dien-3-ol

C18H25ClO — CID 134959293

IUPAC4-(4-chlorophenyl)-3,6-diethylocta-4,5-dien-3-ol
SMILESCCC(=C=C(c1ccc(Cl)cc1)C(O)(CC)CC)CC
InChIInChI=1S/C18H25ClO/c1-5-14(6-2)13-17(18(20,7-3)8-4)15-9-11-16(19)12-10-15/h9-12,20H,5-8H2,1-4H3
InChIKeyIELPXSDFJVFEEQ-UHFFFAOYSA-N
MW292.85 g/mol
LogP5.62
Rot. Bonds6

About 4-(4-chlorophenyl)-3,6-diethylocta-4,5-dien-3-ol

4-(4-chlorophenyl)-3,6-diethylocta-4,5-dien-3-ol (PubChem CID 134959293) has the molecular formula C18H25ClO and a molecular weight of 292.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3,6-diethylocta-4,5-dien-3-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3,6-diethylocta-4,5-dien-3-ol
PubChem CID134959293
Molecular FormulaC18H25ClO
Molecular Weight292.85 g/mol
Exact Mass292.16
IUPAC Name4-(4-chlorophenyl)-3,6-diethylocta-4,5-dien-3-ol
SMILESCCC(=C=C(c1ccc(Cl)cc1)C(O)(CC)CC)CC
InChIInChI=1S/C18H25ClO/c1-5-14(6-2)13-17(18(20,7-3)8-4)15-9-11-16(19)12-10-15/h9-12,20H,5-8H2,1-4H3
InChIKeyIELPXSDFJVFEEQ-UHFFFAOYSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.85
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(3Z)-3-[(4-chlorophenyl)-hydroxymethylidene]-1,1,1-trifluoropentan-2-one
CID 10802587
(2-hydroxy-2-methylpropyl) 4-chlorobenzoate
CID 139815240
[4-(2-amino-2-hydroxybutyl)phenyl]-(4-chlorophenyl)methanone
CID 22373683
1-(4-chlorophenyl)-2-ethylbutane-1,2-diol
CID 103449208
2-(4-chlorophenyl)pentan-2-ol
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cesium;4-chlorobenzoic acid;fluoride
CID 175696882

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3,6-diethylocta-4,5-dien-3-ol?
The IUPAC name of 4-(4-chlorophenyl)-3,6-diethylocta-4,5-dien-3-ol (CID 134959293) is 4-(4-chlorophenyl)-3,6-diethylocta-4,5-dien-3-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-3,6-diethylocta-4,5-dien-3-ol?
The canonical SMILES for 4-(4-chlorophenyl)-3,6-diethylocta-4,5-dien-3-ol is CCC(=C=C(c1ccc(Cl)cc1)C(O)(CC)CC)CC.
What is the InChIKey of 4-(4-chlorophenyl)-3,6-diethylocta-4,5-dien-3-ol?
The InChIKey is IELPXSDFJVFEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClO/c1-5-14(6-2)13-17(18(20,7-3)8-4)15-9-11-16(19)12-10-15/h9-12,20H,5-8H2,1-4H3.
What are the key properties of 4-(4-chlorophenyl)-3,6-diethylocta-4,5-dien-3-ol?
4-(4-chlorophenyl)-3,6-diethylocta-4,5-dien-3-ol has a molecular weight of 292.85 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3,6-diethylocta-4,5-dien-3-ol is sourced from PubChem (CID 134959293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).