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

C14H10Cl2O3 — CID 20539885

IUPAC4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
SMILESOc1ccc(C(=C(Cl)Cl)c2ccc(O)c(O)c2)cc1
InChIInChI=1S/C14H10Cl2O3/c15-14(16)13(8-1-4-10(17)5-2-8)9-3-6-11(18)12(19)7-9/h1-7,17-19H
InChIKeyQDZLVDQMUGOCQA-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.00
Rot. Bonds2

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

4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol (PubChem CID 20539885) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is 4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
PubChem CID20539885
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
SMILESOc1ccc(C(=C(Cl)Cl)c2ccc(O)c(O)c2)cc1
InChIInChI=1S/C14H10Cl2O3/c15-14(16)13(8-1-4-10(17)5-2-8)9-3-6-11(18)12(19)7-9/h1-7,17-19H
InChIKeyQDZLVDQMUGOCQA-UHFFFAOYSA-N
XLogP4.00
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-amino-5-[1-(4-amino-3-hydroxyphenyl)-2,2-dichloroethenyl]phenol
CID 2832089
2-[2,2-dichloro-1-(2,5-dihydroxyphenyl)ethenyl]benzene-1,4-diol
CID 18715943
(3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride
CID 70442762
(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone
CID 19931686
4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-diol
CID 137317837
(1Z)-2-(3,4-dihydroxyphenyl)-N-hydroxy-2-oxoethanimidoyl chloride
CID 135431250
benzene;3,4-dihydroxybenzoic acid
CID 175073097
bis(3,4-dihydroxybenzoic acid);zirconium
CID 23558402
dichlorophosphanyl-(3,4-dihydroxyphenyl)methanone
CID 88842379
N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide
CID 52913696
(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone
CID 19931688
3,4-dihydroxybenzoic acid;4-hydroxybenzoic acid;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 69114202

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol?
The IUPAC name of 4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol (CID 20539885) is 4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol.
What is the SMILES notation for 4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol?
The canonical SMILES for 4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol is Oc1ccc(C(=C(Cl)Cl)c2ccc(O)c(O)c2)cc1.
What is the InChIKey of 4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol?
The InChIKey is QDZLVDQMUGOCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c15-14(16)13(8-1-4-10(17)5-2-8)9-3-6-11(18)12(19)7-9/h1-7,17-19H.
What are the key properties of 4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol?
4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol has a molecular weight of 297.14 g/mol, XLogP of 4.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol is sourced from PubChem (CID 20539885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).