1,2-dichloro-4-[(3R)-hex-4-en-3-yl]benzene

C12H14Cl2 — CID 67630607

IUPAC1,2-dichloro-4-[(3R)-hex-4-en-3-yl]benzene
SMILESCC=C[C@@H](CC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2/c1-3-5-9(4-2)10-6-7-11(13)12(14)8-10/h3,5-9H,4H2,1-2H3/t9-/m1/s1
InChIKeyOHJOYKJRQSZHAY-SECBINFHSA-N
MW229.15 g/mol
LogP5.06
Rot. Bonds3

About 1,2-dichloro-4-[(3R)-hex-4-en-3-yl]benzene

1,2-dichloro-4-[(3R)-hex-4-en-3-yl]benzene (PubChem CID 67630607) has the molecular formula C12H14Cl2 and a molecular weight of 229.15 g/mol. Its IUPAC name is 1,2-dichloro-4-[(3R)-hex-4-en-3-yl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[(3R)-hex-4-en-3-yl]benzene
PubChem CID67630607
Molecular FormulaC12H14Cl2
Molecular Weight229.15 g/mol
Exact Mass228.05
IUPAC Name1,2-dichloro-4-[(3R)-hex-4-en-3-yl]benzene
SMILESCC=C[C@@H](CC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2/c1-3-5-9(4-2)10-6-7-11(13)12(14)8-10/h3,5-9H,4H2,1-2H3/t9-/m1/s1
InChIKeyOHJOYKJRQSZHAY-SECBINFHSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.15
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-dichloro-4-[(3R)-hex-4-en-3-yl]benzene 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

4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene
CID 63436363
4-[(Z)-hex-4-en-3-yl]benzonitrile
CID 163526754
(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol
CID 140978275
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
1-(3,4-dichlorophenyl)-3-ethylpentane-1,2-diol
CID 103459672
(1S)-1-(3,4-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171220910
1,2-dichloro-4-heptan-3-ylbenzene
CID 175611327
1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride
CID 62084023
2-(3,4-dichlorophenyl)-N-methylbutan-1-amine
CID 23202154

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[(3R)-hex-4-en-3-yl]benzene?
The IUPAC name of 1,2-dichloro-4-[(3R)-hex-4-en-3-yl]benzene (CID 67630607) is 1,2-dichloro-4-[(3R)-hex-4-en-3-yl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[(3R)-hex-4-en-3-yl]benzene?
The canonical SMILES for 1,2-dichloro-4-[(3R)-hex-4-en-3-yl]benzene is CC=C[C@@H](CC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-[(3R)-hex-4-en-3-yl]benzene?
The InChIKey is OHJOYKJRQSZHAY-SECBINFHSA-N. The full InChI is InChI=1S/C12H14Cl2/c1-3-5-9(4-2)10-6-7-11(13)12(14)8-10/h3,5-9H,4H2,1-2H3/t9-/m1/s1.
What are the key properties of 1,2-dichloro-4-[(3R)-hex-4-en-3-yl]benzene?
1,2-dichloro-4-[(3R)-hex-4-en-3-yl]benzene has a molecular weight of 229.15 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[(3R)-hex-4-en-3-yl]benzene is sourced from PubChem (CID 67630607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).