1-chloro-2-(2,4-dichlorophenyl)penta-3,4-dien-2-ol

C11H9Cl3O — CID 121222745

IUPAC1-chloro-2-(2,4-dichlorophenyl)penta-3,4-dien-2-ol
SMILESC=C=CC(O)(CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl3O/c1-2-5-11(15,7-12)9-4-3-8(13)6-10(9)14/h3-6,15H,1,7H2
InChIKeyPDQIHVUOLSPNOW-UHFFFAOYSA-N
MW263.55 g/mol
LogP3.76
Rot. Bonds3

About 1-chloro-2-(2,4-dichlorophenyl)penta-3,4-dien-2-ol

1-chloro-2-(2,4-dichlorophenyl)penta-3,4-dien-2-ol (PubChem CID 121222745) has the molecular formula C11H9Cl3O and a molecular weight of 263.55 g/mol. Its IUPAC name is 1-chloro-2-(2,4-dichlorophenyl)penta-3,4-dien-2-ol.

Molecular Properties

Compound Name1-chloro-2-(2,4-dichlorophenyl)penta-3,4-dien-2-ol
PubChem CID121222745
Molecular FormulaC11H9Cl3O
Molecular Weight263.55 g/mol
Exact Mass261.97
IUPAC Name1-chloro-2-(2,4-dichlorophenyl)penta-3,4-dien-2-ol
SMILESC=C=CC(O)(CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl3O/c1-2-5-11(15,7-12)9-4-3-8(13)6-10(9)14/h3-6,15H,1,7H2
InChIKeyPDQIHVUOLSPNOW-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)propan-2-ol
CID 67803482
1-chloro-2-(2,4-dichlorophenyl)pent-4-yn-2-ol
CID 13259983
5-chloro-4-(2,4-dichlorophenyl)pent-2-yne-1,4-diol
CID 71338635
1-chloro-2-(2,4-dichlorophenyl)-3-trimethylsilylpropan-2-ol
CID 19086773
1,4,5-trichloro-2-(2,4-dichlorophenyl)pentan-2-ol
CID 19763618
2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile
CID 117060904
(E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol
CID 163987382
2-(2,4-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83957607
2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene
CID 131994334
(2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile
CID 124567272
1-chloro-2-(2,4-dichlorophenyl)-5-(2,2,2-trifluoroethoxy)pent-3-yn-2-ol
CID 150715278
3-(2,4-dichlorophenyl)-2-methylheptan-3-ol
CID 139474082

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2,4-dichlorophenyl)penta-3,4-dien-2-ol?
The IUPAC name of 1-chloro-2-(2,4-dichlorophenyl)penta-3,4-dien-2-ol (CID 121222745) is 1-chloro-2-(2,4-dichlorophenyl)penta-3,4-dien-2-ol.
What is the SMILES notation for 1-chloro-2-(2,4-dichlorophenyl)penta-3,4-dien-2-ol?
The canonical SMILES for 1-chloro-2-(2,4-dichlorophenyl)penta-3,4-dien-2-ol is C=C=CC(O)(CCl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-chloro-2-(2,4-dichlorophenyl)penta-3,4-dien-2-ol?
The InChIKey is PDQIHVUOLSPNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3O/c1-2-5-11(15,7-12)9-4-3-8(13)6-10(9)14/h3-6,15H,1,7H2.
What are the key properties of 1-chloro-2-(2,4-dichlorophenyl)penta-3,4-dien-2-ol?
1-chloro-2-(2,4-dichlorophenyl)penta-3,4-dien-2-ol has a molecular weight of 263.55 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2,4-dichlorophenyl)penta-3,4-dien-2-ol is sourced from PubChem (CID 121222745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).