4-chlorohexa-1,4-dien-3-ol

C6H9ClO — CID 74377568

IUPAC4-chlorohexa-1,4-dien-3-ol
SMILESC=CC(O)C(Cl)=CC
InChIInChI=1S/C6H9ClO/c1-3-5(7)6(8)4-2/h3-4,6,8H,2H2,1H3
InChIKeySLOJWNXAMLFVOW-UHFFFAOYSA-N
MW132.59 g/mol
LogP1.68
Rot. Bonds2

About 4-chlorohexa-1,4-dien-3-ol

4-chlorohexa-1,4-dien-3-ol (PubChem CID 74377568) has the molecular formula C6H9ClO and a molecular weight of 132.59 g/mol. Its IUPAC name is 4-chlorohexa-1,4-dien-3-ol.

Molecular Properties

Compound Name4-chlorohexa-1,4-dien-3-ol
PubChem CID74377568
Molecular FormulaC6H9ClO
Molecular Weight132.59 g/mol
Exact Mass132.03
IUPAC Name4-chlorohexa-1,4-dien-3-ol
SMILESC=CC(O)C(Cl)=CC
InChIInChI=1S/C6H9ClO/c1-3-5(7)6(8)4-2/h3-4,6,8H,2H2,1H3
InChIKeySLOJWNXAMLFVOW-UHFFFAOYSA-N
XLogP1.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chlorohexa-1,4-dien-3-ol?
The IUPAC name of 4-chlorohexa-1,4-dien-3-ol (CID 74377568) is 4-chlorohexa-1,4-dien-3-ol.
What is the SMILES notation for 4-chlorohexa-1,4-dien-3-ol?
The canonical SMILES for 4-chlorohexa-1,4-dien-3-ol is C=CC(O)C(Cl)=CC.
What is the InChIKey of 4-chlorohexa-1,4-dien-3-ol?
The InChIKey is SLOJWNXAMLFVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO/c1-3-5(7)6(8)4-2/h3-4,6,8H,2H2,1H3.
What are the key properties of 4-chlorohexa-1,4-dien-3-ol?
4-chlorohexa-1,4-dien-3-ol has a molecular weight of 132.59 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorohexa-1,4-dien-3-ol is sourced from PubChem (CID 74377568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).