1-chloroprop-1-en-2-yloxybenzene

C9H9ClO — CID 525301

IUPAC1-chloroprop-1-en-2-yloxybenzene
SMILESCC(=CCl)Oc1ccccc1
InChIInChI=1S/C9H9ClO/c1-8(7-10)11-9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyMXCCQVQTIWOPFS-UHFFFAOYSA-N
MW168.62 g/mol
LogP3.17
Rot. Bonds2

About 1-chloroprop-1-en-2-yloxybenzene

1-chloroprop-1-en-2-yloxybenzene (PubChem CID 525301) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is 1-chloroprop-1-en-2-yloxybenzene.

Molecular Properties

Compound Name1-chloroprop-1-en-2-yloxybenzene
PubChem CID525301
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name1-chloroprop-1-en-2-yloxybenzene
SMILESCC(=CCl)Oc1ccccc1
InChIInChI=1S/C9H9ClO/c1-8(7-10)11-9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyMXCCQVQTIWOPFS-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloroprop-1-en-2-yloxybenzene 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

1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene
CID 53428023
1-(chloromethyl)-2-(2-phenoxyprop-1-enyl)benzene
CID 70376426
ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene
CID 143117952
(E)-1-phenoxyprop-1-en-1-ol
CID 21243991
(1-chloro-3,3,4-trimethylpent-1-en-2-yl)oxybenzene
CID 54514707
phenyl (Z)-3-chloro-2-fluoroprop-2-enoate
CID 102446319
[(E)-but-2-en-2-yl] phenyl carbonate
CID 121217638
phenyl acetate;hydroiodide
CID 172788123
sodium;hydride;phenyl acetate
CID 159991718
lithium;hydride;phenyl acetate
CID 173276859
1-chloro-2-methylbenzene;phenyl acetate
CID 160646986
chloro acetate;phenyl carbonochloridate
CID 87652464

Frequently Asked Questions

What is the IUPAC name of 1-chloroprop-1-en-2-yloxybenzene?
The IUPAC name of 1-chloroprop-1-en-2-yloxybenzene (CID 525301) is 1-chloroprop-1-en-2-yloxybenzene.
What is the SMILES notation for 1-chloroprop-1-en-2-yloxybenzene?
The canonical SMILES for 1-chloroprop-1-en-2-yloxybenzene is CC(=CCl)Oc1ccccc1.
What is the InChIKey of 1-chloroprop-1-en-2-yloxybenzene?
The InChIKey is MXCCQVQTIWOPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO/c1-8(7-10)11-9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 1-chloroprop-1-en-2-yloxybenzene?
1-chloroprop-1-en-2-yloxybenzene has a molecular weight of 168.62 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroprop-1-en-2-yloxybenzene is sourced from PubChem (CID 525301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).