5-(dichloromethyl)benzene-1,2,3-triol

C7H6Cl2O3 — CID 91094119

IUPAC5-(dichloromethyl)benzene-1,2,3-triol
SMILESOc1cc(C(Cl)Cl)cc(O)c1O
InChIInChI=1S/C7H6Cl2O3/c8-7(9)3-1-4(10)6(12)5(11)2-3/h1-2,7,10-12H
InChIKeyRAEOAEULKCJKCN-UHFFFAOYSA-N
MW209.03 g/mol
LogP2.28
Rot. Bonds1

About 5-(dichloromethyl)benzene-1,2,3-triol

5-(dichloromethyl)benzene-1,2,3-triol (PubChem CID 91094119) has the molecular formula C7H6Cl2O3 and a molecular weight of 209.03 g/mol. Its IUPAC name is 5-(dichloromethyl)benzene-1,2,3-triol.

Molecular Properties

Compound Name5-(dichloromethyl)benzene-1,2,3-triol
PubChem CID91094119
Molecular FormulaC7H6Cl2O3
Molecular Weight209.03 g/mol
Exact Mass207.97
IUPAC Name5-(dichloromethyl)benzene-1,2,3-triol
SMILESOc1cc(C(Cl)Cl)cc(O)c1O
InChIInChI=1S/C7H6Cl2O3/c8-7(9)3-1-4(10)6(12)5(11)2-3/h1-2,7,10-12H
InChIKeyRAEOAEULKCJKCN-UHFFFAOYSA-N
XLogP2.28
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.03
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-aminoethyl)benzene-1,2,3-triol
CID 55295720
2-hydroxy-2-(3,4,5-trihydroxyphenyl)acetic acid
CID 45092881
5-(1-amino-2-methylpropyl)benzene-1,2,3-triol
CID 55270365
1,3-dichloro-5-(dichloromethyl)benzene
CID 19898502
5-but-3-en-2-ylbenzene-1,2,3-triol
CID 143961077
5-(1-amino-3-hydroxypropyl)benzene-1,2,3-triol;hydrochloride
CID 170874409
5-[(1S)-2-hydroxy-1-(methylamino)ethyl]benzene-1,2,3-triol
CID 55276777
5-(3-chloro-1,2-dihydroxypropyl)-3-methoxybenzene-1,2-diol
CID 171863361
3-bromo-5-(difluoromethyl)benzene-1,2-diol
CID 84700981
europium(2+);bis(3,4,5-trihydroxythiobenzate)
CID 136597984
silver 3,4,5-trihydroxythiobenzate
CID 158274527
3-amino-5-(1-aminoethyl)benzene-1,2-diol
CID 130060617

Frequently Asked Questions

What is the IUPAC name of 5-(dichloromethyl)benzene-1,2,3-triol?
The IUPAC name of 5-(dichloromethyl)benzene-1,2,3-triol (CID 91094119) is 5-(dichloromethyl)benzene-1,2,3-triol.
What is the SMILES notation for 5-(dichloromethyl)benzene-1,2,3-triol?
The canonical SMILES for 5-(dichloromethyl)benzene-1,2,3-triol is Oc1cc(C(Cl)Cl)cc(O)c1O.
What is the InChIKey of 5-(dichloromethyl)benzene-1,2,3-triol?
The InChIKey is RAEOAEULKCJKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O3/c8-7(9)3-1-4(10)6(12)5(11)2-3/h1-2,7,10-12H.
What are the key properties of 5-(dichloromethyl)benzene-1,2,3-triol?
5-(dichloromethyl)benzene-1,2,3-triol has a molecular weight of 209.03 g/mol, XLogP of 2.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dichloromethyl)benzene-1,2,3-triol is sourced from PubChem (CID 91094119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).