2-chloro-1-(2,4-dihydroxy-3-methylphenyl)propan-1-one

C10H11ClO3 — CID 141444178

IUPAC2-chloro-1-(2,4-dihydroxy-3-methylphenyl)propan-1-one
SMILESCc1c(O)ccc(C(=O)C(C)Cl)c1O
InChIInChI=1S/C10H11ClO3/c1-5-8(12)4-3-7(9(5)13)10(14)6(2)11/h3-4,6,12-13H,1-2H3
InChIKeyPONOZBLVTJADMH-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.22
Rot. Bonds2

About 2-chloro-1-(2,4-dihydroxy-3-methylphenyl)propan-1-one

2-chloro-1-(2,4-dihydroxy-3-methylphenyl)propan-1-one (PubChem CID 141444178) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-chloro-1-(2,4-dihydroxy-3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-(2,4-dihydroxy-3-methylphenyl)propan-1-one
PubChem CID141444178
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-chloro-1-(2,4-dihydroxy-3-methylphenyl)propan-1-one
SMILESCc1c(O)ccc(C(=O)C(C)Cl)c1O
InChIInChI=1S/C10H11ClO3/c1-5-8(12)4-3-7(9(5)13)10(14)6(2)11/h3-4,6,12-13H,1-2H3
InChIKeyPONOZBLVTJADMH-UHFFFAOYSA-N
XLogP2.22
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-chloro-1-(2,4-dihydroxy-3-methylphenyl)propan-1-one?
The IUPAC name of 2-chloro-1-(2,4-dihydroxy-3-methylphenyl)propan-1-one (CID 141444178) is 2-chloro-1-(2,4-dihydroxy-3-methylphenyl)propan-1-one.
What is the SMILES notation for 2-chloro-1-(2,4-dihydroxy-3-methylphenyl)propan-1-one?
The canonical SMILES for 2-chloro-1-(2,4-dihydroxy-3-methylphenyl)propan-1-one is Cc1c(O)ccc(C(=O)C(C)Cl)c1O.
What is the InChIKey of 2-chloro-1-(2,4-dihydroxy-3-methylphenyl)propan-1-one?
The InChIKey is PONOZBLVTJADMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-5-8(12)4-3-7(9(5)13)10(14)6(2)11/h3-4,6,12-13H,1-2H3.
What are the key properties of 2-chloro-1-(2,4-dihydroxy-3-methylphenyl)propan-1-one?
2-chloro-1-(2,4-dihydroxy-3-methylphenyl)propan-1-one has a molecular weight of 214.65 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,4-dihydroxy-3-methylphenyl)propan-1-one is sourced from PubChem (CID 141444178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).