1,3-dichloro-5-(1-methoxyprop-1-enyl)benzene

C10H10Cl2O — CID 67275040

IUPAC1,3-dichloro-5-(1-methoxyprop-1-enyl)benzene
SMILESCC=C(OC)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl2O/c1-3-10(13-2)7-4-8(11)6-9(12)5-7/h3-6H,1-2H3
InChIKeyXEIAYHKGZJRQQD-UHFFFAOYSA-N
MW217.09 g/mol
LogP4.00
Rot. Bonds2

About 1,3-dichloro-5-(1-methoxyprop-1-enyl)benzene

1,3-dichloro-5-(1-methoxyprop-1-enyl)benzene (PubChem CID 67275040) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 1,3-dichloro-5-(1-methoxyprop-1-enyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(1-methoxyprop-1-enyl)benzene
PubChem CID67275040
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name1,3-dichloro-5-(1-methoxyprop-1-enyl)benzene
SMILESCC=C(OC)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl2O/c1-3-10(13-2)7-4-8(11)6-9(12)5-7/h3-6H,1-2H3
InChIKeyXEIAYHKGZJRQQD-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(1-methoxyprop-1-enyl)benzene?
The IUPAC name of 1,3-dichloro-5-(1-methoxyprop-1-enyl)benzene (CID 67275040) is 1,3-dichloro-5-(1-methoxyprop-1-enyl)benzene.
What is the SMILES notation for 1,3-dichloro-5-(1-methoxyprop-1-enyl)benzene?
The canonical SMILES for 1,3-dichloro-5-(1-methoxyprop-1-enyl)benzene is CC=C(OC)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-(1-methoxyprop-1-enyl)benzene?
The InChIKey is XEIAYHKGZJRQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O/c1-3-10(13-2)7-4-8(11)6-9(12)5-7/h3-6H,1-2H3.
What are the key properties of 1,3-dichloro-5-(1-methoxyprop-1-enyl)benzene?
1,3-dichloro-5-(1-methoxyprop-1-enyl)benzene has a molecular weight of 217.09 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(1-methoxyprop-1-enyl)benzene is sourced from PubChem (CID 67275040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).