2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol

C10H10Cl2O2 — CID 143536672

IUPAC2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol
SMILESC=C(Cl)C(=O)c1ccc(Cl)cc1.CO
InChIInChI=1S/C9H6Cl2O.CH4O/c1-6(10)9(12)7-2-4-8(11)5-3-7;1-2/h2-5H,1H2;2H,1H3
InChIKeySIUHZRXTKBORJX-UHFFFAOYSA-N
MW233.09 g/mol
LogP2.88
Rot. Bonds2

About 2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol

2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol (PubChem CID 143536672) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol.

Molecular Properties

Compound Name2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol
PubChem CID143536672
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol
SMILESC=C(Cl)C(=O)c1ccc(Cl)cc1.CO
InChIInChI=1S/C9H6Cl2O.CH4O/c1-6(10)9(12)7-2-4-8(11)5-3-7;1-2/h2-5H,1H2;2H,1H3
InChIKeySIUHZRXTKBORJX-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol?
The IUPAC name of 2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol (CID 143536672) is 2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol.
What is the SMILES notation for 2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol?
The canonical SMILES for 2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol is C=C(Cl)C(=O)c1ccc(Cl)cc1.CO.
What is the InChIKey of 2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol?
The InChIKey is SIUHZRXTKBORJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2O.CH4O/c1-6(10)9(12)7-2-4-8(11)5-3-7;1-2/h2-5H,1H2;2H,1H3.
What are the key properties of 2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol?
2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol has a molecular weight of 233.09 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol is sourced from PubChem (CID 143536672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).