(E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol

C11H12Cl2O — CID 163987382

IUPAC(E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol
SMILESC/C=C/C(C)(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2O/c1-3-6-11(2,14)9-5-4-8(12)7-10(9)13/h3-7,14H,1-2H3/b6-3+
InChIKeyTXNRBXXEGGVVOU-ZZXKWVIFSA-N
MW231.12 g/mol
LogP3.78
Rot. Bonds2

About (E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol

(E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol (PubChem CID 163987382) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is (E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol.

Molecular Properties

Compound Name(E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol
PubChem CID163987382
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name(E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol
SMILESC/C=C/C(C)(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2O/c1-3-6-11(2,14)9-5-4-8(12)7-10(9)13/h3-7,14H,1-2H3/b6-3+
InChIKeyTXNRBXXEGGVVOU-ZZXKWVIFSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 67803482
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2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-3-en-2-ol
CID 67832646
2-chloro-2-(2,4-dichlorophenyl)propanal
CID 20571053
(2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid
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(1R)-1-(2,4-dichlorophenyl)-1-dimethoxyphosphorylethanol
CID 125471562
2-(2,4-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83957607
2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide
CID 110487685
1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one
CID 70254435
2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine
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CID 124567272
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Frequently Asked Questions

What is the IUPAC name of (E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol?
The IUPAC name of (E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol (CID 163987382) is (E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol.
What is the SMILES notation for (E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol?
The canonical SMILES for (E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol is C/C=C/C(C)(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol?
The InChIKey is TXNRBXXEGGVVOU-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-3-6-11(2,14)9-5-4-8(12)7-10(9)13/h3-7,14H,1-2H3/b6-3+.
What are the key properties of (E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol?
(E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol has a molecular weight of 231.12 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol is sourced from PubChem (CID 163987382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).