3-chloro-5-(3-chloroprop-1-enyl)phenol

C9H8Cl2O — CID 169476931

IUPAC3-chloro-5-(3-chloroprop-1-enyl)phenol
SMILESOc1cc(Cl)cc(C=CCCl)c1
InChIInChI=1S/C9H8Cl2O/c10-3-1-2-7-4-8(11)6-9(12)5-7/h1-2,4-6,12H,3H2
InChIKeyILQRLGQHMUHTAG-UHFFFAOYSA-N
MW203.07 g/mol
LogP3.30
Rot. Bonds2

About 3-chloro-5-(3-chloroprop-1-enyl)phenol

3-chloro-5-(3-chloroprop-1-enyl)phenol (PubChem CID 169476931) has the molecular formula C9H8Cl2O and a molecular weight of 203.07 g/mol. Its IUPAC name is 3-chloro-5-(3-chloroprop-1-enyl)phenol.

Molecular Properties

Compound Name3-chloro-5-(3-chloroprop-1-enyl)phenol
PubChem CID169476931
Molecular FormulaC9H8Cl2O
Molecular Weight203.07 g/mol
Exact Mass202.00
IUPAC Name3-chloro-5-(3-chloroprop-1-enyl)phenol
SMILESOc1cc(Cl)cc(C=CCCl)c1
InChIInChI=1S/C9H8Cl2O/c10-3-1-2-7-4-8(11)6-9(12)5-7/h1-2,4-6,12H,3H2
InChIKeyILQRLGQHMUHTAG-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-chloroprop-1-enyl)phenol?
The IUPAC name of 3-chloro-5-(3-chloroprop-1-enyl)phenol (CID 169476931) is 3-chloro-5-(3-chloroprop-1-enyl)phenol.
What is the SMILES notation for 3-chloro-5-(3-chloroprop-1-enyl)phenol?
The canonical SMILES for 3-chloro-5-(3-chloroprop-1-enyl)phenol is Oc1cc(Cl)cc(C=CCCl)c1.
What is the InChIKey of 3-chloro-5-(3-chloroprop-1-enyl)phenol?
The InChIKey is ILQRLGQHMUHTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O/c10-3-1-2-7-4-8(11)6-9(12)5-7/h1-2,4-6,12H,3H2.
What are the key properties of 3-chloro-5-(3-chloroprop-1-enyl)phenol?
3-chloro-5-(3-chloroprop-1-enyl)phenol has a molecular weight of 203.07 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-chloroprop-1-enyl)phenol is sourced from PubChem (CID 169476931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).