1-(4-chlorophenyl)penta-3,4-dien-1-ol

C11H11ClO — CID 25139114

IUPAC1-(4-chlorophenyl)penta-3,4-dien-1-ol
SMILESC=C=CCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h3,5-8,11,13H,1,4H2
InChIKeyATBYGOQMBKHVBM-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.10
Rot. Bonds3

About 1-(4-chlorophenyl)penta-3,4-dien-1-ol

1-(4-chlorophenyl)penta-3,4-dien-1-ol (PubChem CID 25139114) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)penta-3,4-dien-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)penta-3,4-dien-1-ol
PubChem CID25139114
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name1-(4-chlorophenyl)penta-3,4-dien-1-ol
SMILESC=C=CCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h3,5-8,11,13H,1,4H2
InChIKeyATBYGOQMBKHVBM-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)penta-3,4-dien-1-ol?
The IUPAC name of 1-(4-chlorophenyl)penta-3,4-dien-1-ol (CID 25139114) is 1-(4-chlorophenyl)penta-3,4-dien-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)penta-3,4-dien-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)penta-3,4-dien-1-ol is C=C=CCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)penta-3,4-dien-1-ol?
The InChIKey is ATBYGOQMBKHVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h3,5-8,11,13H,1,4H2.
What are the key properties of 1-(4-chlorophenyl)penta-3,4-dien-1-ol?
1-(4-chlorophenyl)penta-3,4-dien-1-ol has a molecular weight of 194.66 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)penta-3,4-dien-1-ol is sourced from PubChem (CID 25139114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).