1,3-dichloro-2-[2-(chloromethyl)prop-2-enoxy]benzene

C10H9Cl3O — CID 103066071

IUPAC1,3-dichloro-2-[2-(chloromethyl)prop-2-enoxy]benzene
SMILESC=C(CCl)COc1c(Cl)cccc1Cl
InChIInChI=1S/C10H9Cl3O/c1-7(5-11)6-14-10-8(12)3-2-4-9(10)13/h2-4H,1,5-6H2
InChIKeyZCMUZXHOILIAJS-UHFFFAOYSA-N
MW251.54 g/mol
LogP4.17
Rot. Bonds4

About 1,3-dichloro-2-[2-(chloromethyl)prop-2-enoxy]benzene

1,3-dichloro-2-[2-(chloromethyl)prop-2-enoxy]benzene (PubChem CID 103066071) has the molecular formula C10H9Cl3O and a molecular weight of 251.54 g/mol. Its IUPAC name is 1,3-dichloro-2-[2-(chloromethyl)prop-2-enoxy]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[2-(chloromethyl)prop-2-enoxy]benzene
PubChem CID103066071
Molecular FormulaC10H9Cl3O
Molecular Weight251.54 g/mol
Exact Mass249.97
IUPAC Name1,3-dichloro-2-[2-(chloromethyl)prop-2-enoxy]benzene
SMILESC=C(CCl)COc1c(Cl)cccc1Cl
InChIInChI=1S/C10H9Cl3O/c1-7(5-11)6-14-10-8(12)3-2-4-9(10)13/h2-4H,1,5-6H2
InChIKeyZCMUZXHOILIAJS-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.54
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3-dichloro-2-[2-(chloromethyl)prop-2-enoxy]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

1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzene
CID 103066188
2-(2,6-dichlorophenoxy)-N,N-dimethylacetamide
CID 78765476
1-[3-chloro-2-(2-methylidenebutoxy)phenyl]butan-2-amine
CID 112615747
(E)-3-[3-chloro-2-(2-methylidenebutoxy)phenyl]prop-2-enoic acid
CID 112614340
1,3-dichloro-2-(6-chlorohexoxy)benzene
CID 63499301
N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine
CID 112609951
2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid
CID 83050552
8-[2-(chloromethyl)prop-2-enoxy]quinoline
CID 103066009
methyl 2-(2,6-dichlorophenoxy)ethanimidate
CID 82290475
2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine
CID 103066836
propan-2-yl 2-(2,6-dichlorophenoxy)acetate
CID 60643376
2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 78765489

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[2-(chloromethyl)prop-2-enoxy]benzene?
The IUPAC name of 1,3-dichloro-2-[2-(chloromethyl)prop-2-enoxy]benzene (CID 103066071) is 1,3-dichloro-2-[2-(chloromethyl)prop-2-enoxy]benzene.
What is the SMILES notation for 1,3-dichloro-2-[2-(chloromethyl)prop-2-enoxy]benzene?
The canonical SMILES for 1,3-dichloro-2-[2-(chloromethyl)prop-2-enoxy]benzene is C=C(CCl)COc1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-[2-(chloromethyl)prop-2-enoxy]benzene?
The InChIKey is ZCMUZXHOILIAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3O/c1-7(5-11)6-14-10-8(12)3-2-4-9(10)13/h2-4H,1,5-6H2.
What are the key properties of 1,3-dichloro-2-[2-(chloromethyl)prop-2-enoxy]benzene?
1,3-dichloro-2-[2-(chloromethyl)prop-2-enoxy]benzene has a molecular weight of 251.54 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[2-(chloromethyl)prop-2-enoxy]benzene is sourced from PubChem (CID 103066071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).