2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone

C14H10Cl2O4 — CID 102033075

IUPAC2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1ccc(O)c(O)c1O
InChIInChI=1S/C14H10Cl2O4/c15-8-2-1-7(10(16)6-8)5-12(18)9-3-4-11(17)14(20)13(9)19/h1-4,6,17,19-20H,5H2
InChIKeySBMHGDXAXICJCI-UHFFFAOYSA-N
MW313.14 g/mol
LogP3.54
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone

2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone (PubChem CID 102033075) has the molecular formula C14H10Cl2O4 and a molecular weight of 313.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone
PubChem CID102033075
Molecular FormulaC14H10Cl2O4
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1ccc(O)c(O)c1O
InChIInChI=1S/C14H10Cl2O4/c15-8-2-1-7(10(16)6-8)5-12(18)9-3-4-11(17)14(20)13(9)19/h1-4,6,17,19-20H,5H2
InChIKeySBMHGDXAXICJCI-UHFFFAOYSA-N
XLogP3.54
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967195
2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 63409426
2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 63411438
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide
CID 71557223
1-(5-chloro-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865288
2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 112771738
1-(1-benzothiophen-7-yl)-2-(2,4-dichlorophenyl)ethanone
CID 81153455
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-iodophenyl)ethanone
CID 114029972
2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 106865501
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone (CID 102033075) is 2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone is O=C(Cc1ccc(Cl)cc1Cl)c1ccc(O)c(O)c1O.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone?
The InChIKey is SBMHGDXAXICJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O4/c15-8-2-1-7(10(16)6-8)5-12(18)9-3-4-11(17)14(20)13(9)19/h1-4,6,17,19-20H,5H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone?
2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone has a molecular weight of 313.14 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone is sourced from PubChem (CID 102033075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).