2-[2,2-dichloro-1-(2,5-dihydroxyphenyl)ethenyl]benzene-1,4-diol

C14H10Cl2O4 — CID 18715943

IUPAC2-[2,2-dichloro-1-(2,5-dihydroxyphenyl)ethenyl]benzene-1,4-diol
SMILESOc1ccc(O)c(C(=C(Cl)Cl)c2cc(O)ccc2O)c1
InChIInChI=1S/C14H10Cl2O4/c15-14(16)13(9-5-7(17)1-3-11(9)19)10-6-8(18)2-4-12(10)20/h1-6,17-20H
InChIKeyWMFCLOKNCNESOP-UHFFFAOYSA-N
MW313.14 g/mol
LogP3.70
Rot. Bonds2

About 2-[2,2-dichloro-1-(2,5-dihydroxyphenyl)ethenyl]benzene-1,4-diol

2-[2,2-dichloro-1-(2,5-dihydroxyphenyl)ethenyl]benzene-1,4-diol (PubChem CID 18715943) has the molecular formula C14H10Cl2O4 and a molecular weight of 313.14 g/mol. Its IUPAC name is 2-[2,2-dichloro-1-(2,5-dihydroxyphenyl)ethenyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[2,2-dichloro-1-(2,5-dihydroxyphenyl)ethenyl]benzene-1,4-diol
PubChem CID18715943
Molecular FormulaC14H10Cl2O4
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name2-[2,2-dichloro-1-(2,5-dihydroxyphenyl)ethenyl]benzene-1,4-diol
SMILESOc1ccc(O)c(C(=C(Cl)Cl)c2cc(O)ccc2O)c1
InChIInChI=1S/C14H10Cl2O4/c15-14(16)13(9-5-7(17)1-3-11(9)19)10-6-8(18)2-4-12(10)20/h1-6,17-20H
InChIKeyWMFCLOKNCNESOP-UHFFFAOYSA-N
XLogP3.70
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dichloro-1-(2,5-dihydroxyphenyl)ethenyl]benzene-1,4-diol?
The IUPAC name of 2-[2,2-dichloro-1-(2,5-dihydroxyphenyl)ethenyl]benzene-1,4-diol (CID 18715943) is 2-[2,2-dichloro-1-(2,5-dihydroxyphenyl)ethenyl]benzene-1,4-diol.
What is the SMILES notation for 2-[2,2-dichloro-1-(2,5-dihydroxyphenyl)ethenyl]benzene-1,4-diol?
The canonical SMILES for 2-[2,2-dichloro-1-(2,5-dihydroxyphenyl)ethenyl]benzene-1,4-diol is Oc1ccc(O)c(C(=C(Cl)Cl)c2cc(O)ccc2O)c1.
What is the InChIKey of 2-[2,2-dichloro-1-(2,5-dihydroxyphenyl)ethenyl]benzene-1,4-diol?
The InChIKey is WMFCLOKNCNESOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O4/c15-14(16)13(9-5-7(17)1-3-11(9)19)10-6-8(18)2-4-12(10)20/h1-6,17-20H.
What are the key properties of 2-[2,2-dichloro-1-(2,5-dihydroxyphenyl)ethenyl]benzene-1,4-diol?
2-[2,2-dichloro-1-(2,5-dihydroxyphenyl)ethenyl]benzene-1,4-diol has a molecular weight of 313.14 g/mol, XLogP of 3.70, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dichloro-1-(2,5-dihydroxyphenyl)ethenyl]benzene-1,4-diol is sourced from PubChem (CID 18715943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).