1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene

C12H12Cl2O — CID 53428023

IUPAC1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene
SMILESCC(=CCl)Oc1ccccc1C(C)=CCl
InChIInChI=1S/C12H12Cl2O/c1-9(7-13)11-5-3-4-6-12(11)15-10(2)8-14/h3-8H,1-2H3
InChIKeyLOKRGVLXHLCICL-UHFFFAOYSA-N
MW243.13 g/mol
LogP4.77
Rot. Bonds3

About 1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene

1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene (PubChem CID 53428023) has the molecular formula C12H12Cl2O and a molecular weight of 243.13 g/mol. Its IUPAC name is 1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene.

Molecular Properties

Compound Name1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene
PubChem CID53428023
Molecular FormulaC12H12Cl2O
Molecular Weight243.13 g/mol
Exact Mass242.03
IUPAC Name1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene
SMILESCC(=CCl)Oc1ccccc1C(C)=CCl
InChIInChI=1S/C12H12Cl2O/c1-9(7-13)11-5-3-4-6-12(11)15-10(2)8-14/h3-8H,1-2H3
InChIKeyLOKRGVLXHLCICL-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)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

2,6-bis[(Z)-1-chloroprop-1-en-2-yl]phenol
CID 88610396
1-chloroprop-1-en-2-yloxybenzene
CID 525301
1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene
CID 118140779
[(E)-1-chloroprop-1-en-2-yl]benzene
CID 12504275
1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene
CID 67583154
1-[(E)-but-2-en-2-yl]oxy-2-methylbenzene
CID 23533291
1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene
CID 143337397
O-(2-carbonochloridoylphenyl) ethanethioate
CID 154208486
3-(2-methoxyphenyl)but-2-enal
CID 74217531
1-methoxy-2-pent-2-en-2-ylbenzene
CID 71423787
1-[(E)-4-bromobut-2-en-2-yl]-2-methoxybenzene
CID 121221128
(2-acetylphenyl) 3-methylbut-2-enoate
CID 86069754

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene?
The IUPAC name of 1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene (CID 53428023) is 1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene.
What is the SMILES notation for 1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene?
The canonical SMILES for 1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene is CC(=CCl)Oc1ccccc1C(C)=CCl.
What is the InChIKey of 1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene?
The InChIKey is LOKRGVLXHLCICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O/c1-9(7-13)11-5-3-4-6-12(11)15-10(2)8-14/h3-8H,1-2H3.
What are the key properties of 1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene?
1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene has a molecular weight of 243.13 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene is sourced from PubChem (CID 53428023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).