1,3-dichloro-5-[(Z)-prop-1-enoxy]benzene

C9H8Cl2O — CID 643884

IUPAC1,3-dichloro-5-[(Z)-prop-1-enoxy]benzene
SMILESC/C=C\Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H8Cl2O/c1-2-3-12-9-5-7(10)4-8(11)6-9/h2-6H,1H3/b3-2-
InChIKeyUSPMANDNJBFYMJ-IHWYPQMZSA-N
MW203.07 g/mol
LogP3.91
Rot. Bonds2

About 1,3-dichloro-5-[(Z)-prop-1-enoxy]benzene

1,3-dichloro-5-[(Z)-prop-1-enoxy]benzene (PubChem CID 643884) has the molecular formula C9H8Cl2O and a molecular weight of 203.07 g/mol. Its IUPAC name is 1,3-dichloro-5-[(Z)-prop-1-enoxy]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[(Z)-prop-1-enoxy]benzene
PubChem CID643884
Molecular FormulaC9H8Cl2O
Molecular Weight203.07 g/mol
Exact Mass202.00
IUPAC Name1,3-dichloro-5-[(Z)-prop-1-enoxy]benzene
SMILESC/C=C\Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H8Cl2O/c1-2-3-12-9-5-7(10)4-8(11)6-9/h2-6H,1H3/b3-2-
InChIKeyUSPMANDNJBFYMJ-IHWYPQMZSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 53.91
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-[(Z)-prop-1-enoxy]benzene?
The IUPAC name of 1,3-dichloro-5-[(Z)-prop-1-enoxy]benzene (CID 643884) is 1,3-dichloro-5-[(Z)-prop-1-enoxy]benzene.
What is the SMILES notation for 1,3-dichloro-5-[(Z)-prop-1-enoxy]benzene?
The canonical SMILES for 1,3-dichloro-5-[(Z)-prop-1-enoxy]benzene is C/C=C\Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-[(Z)-prop-1-enoxy]benzene?
The InChIKey is USPMANDNJBFYMJ-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H8Cl2O/c1-2-3-12-9-5-7(10)4-8(11)6-9/h2-6H,1H3/b3-2-.
What are the key properties of 1,3-dichloro-5-[(Z)-prop-1-enoxy]benzene?
1,3-dichloro-5-[(Z)-prop-1-enoxy]benzene has a molecular weight of 203.07 g/mol, XLogP of 3.91, 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-[(Z)-prop-1-enoxy]benzene is sourced from PubChem (CID 643884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).