5-(2,3-dichlorophenyl)pent-4-en-1-ol

C11H12Cl2O — CID 91520067

IUPAC5-(2,3-dichlorophenyl)pent-4-en-1-ol
SMILESOCCCC=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2O/c12-10-7-4-6-9(11(10)13)5-2-1-3-8-14/h2,4-7,14H,1,3,8H2
InChIKeyCHHBWKJNQJDIRD-UHFFFAOYSA-N
MW231.12 g/mol
LogP3.78
Rot. Bonds4

About 5-(2,3-dichlorophenyl)pent-4-en-1-ol

5-(2,3-dichlorophenyl)pent-4-en-1-ol (PubChem CID 91520067) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)pent-4-en-1-ol.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)pent-4-en-1-ol
PubChem CID91520067
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name5-(2,3-dichlorophenyl)pent-4-en-1-ol
SMILESOCCCC=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2O/c12-10-7-4-6-9(11(10)13)5-2-1-3-8-14/h2,4-7,14H,1,3,8H2
InChIKeyCHHBWKJNQJDIRD-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(2,3-dichlorophenyl)pent-4-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-(2,3-dichlorophenyl)but-3-en-1-ol
CID 173173515
4-(2,3-dichlorophenyl)but-3-ene-1-thiol
CID 170477864
1,7-bis(2,3-dichlorophenyl)hepta-1,6-dien-4-one
CID 141017477
1,2-dichloro-3-(3-chloroprop-1-enyl)benzene
CID 79334722
2-chloro-3-(4-hydroxybut-1-enyl)phenol
CID 170476157
N-[3-(2,3-dichlorophenyl)prop-2-enyl]acetamide
CID 169464992
[(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid
CID 81222802
(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid
CID 2412390
(E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol
CID 173058709
4-(2-ethylphenyl)but-3-en-1-ol
CID 170476106
(E)-3-(2,3-dichlorophenyl)prop-2-enoate
CID 2063719
3-[2-(4-chlorobut-1-enyl)phenyl]propan-1-ol
CID 170499437

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)pent-4-en-1-ol?
The IUPAC name of 5-(2,3-dichlorophenyl)pent-4-en-1-ol (CID 91520067) is 5-(2,3-dichlorophenyl)pent-4-en-1-ol.
What is the SMILES notation for 5-(2,3-dichlorophenyl)pent-4-en-1-ol?
The canonical SMILES for 5-(2,3-dichlorophenyl)pent-4-en-1-ol is OCCCC=Cc1cccc(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenyl)pent-4-en-1-ol?
The InChIKey is CHHBWKJNQJDIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c12-10-7-4-6-9(11(10)13)5-2-1-3-8-14/h2,4-7,14H,1,3,8H2.
What are the key properties of 5-(2,3-dichlorophenyl)pent-4-en-1-ol?
5-(2,3-dichlorophenyl)pent-4-en-1-ol has a molecular weight of 231.12 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)pent-4-en-1-ol is sourced from PubChem (CID 91520067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).