2-chloro-6-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol

C14H13ClO5 — CID 24770502

IUPAC2-chloro-6-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol
SMILESOc1ccc(O)c(COCc2cc(O)cc(Cl)c2O)c1
InChIInChI=1S/C14H13ClO5/c15-12-5-11(17)4-9(14(12)19)7-20-6-8-3-10(16)1-2-13(8)18/h1-5,16-19H,6-7H2
InChIKeyUFCVCBAKLKAAMC-UHFFFAOYSA-N
MW296.71 g/mol
LogP2.88
Rot. Bonds4

About 2-chloro-6-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol

2-chloro-6-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol (PubChem CID 24770502) has the molecular formula C14H13ClO5 and a molecular weight of 296.71 g/mol. Its IUPAC name is 2-chloro-6-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-chloro-6-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol
PubChem CID24770502
Molecular FormulaC14H13ClO5
Molecular Weight296.71 g/mol
Exact Mass296.05
IUPAC Name2-chloro-6-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol
SMILESOc1ccc(O)c(COCc2cc(O)cc(Cl)c2O)c1
InChIInChI=1S/C14H13ClO5/c15-12-5-11(17)4-9(14(12)19)7-20-6-8-3-10(16)1-2-13(8)18/h1-5,16-19H,6-7H2
InChIKeyUFCVCBAKLKAAMC-UHFFFAOYSA-N
XLogP2.88
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Terrestrol G
CID 24761035
Terrestrol C
CID 24770503
Terrestrol D
CID 24770504
Terrestrol F
CID 24770506
2-Chloro-6-(Methoxymethyl)Benzene-1,4-Diol
CID 24770578
3-Chloro-2,5-dihydroxybenzyl alcohol
CID 593615
(1s)-1,5-Anhydro-1-(4-Chloro-2,5-Dihydroxyphenyl)-D-Glucitol
CID 52940042
(1s)-1,5-Anhydro-1-(3-Chloro-2-Hydroxy-5-Methoxyphenyl)-D-Glucitol
CID 52940044
(1s)-1,5-Anhydro-1-(3-Chloro-2,5-Dihydroxyphenyl)-D-Glucitol
CID 52940043
2-Chloro-6-[(3-chloro-2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol
CID 170990637
2-chloro-6-[[(1R,2S,4S,5S)-4,5-dihydroxy-2-methylcyclohexyl]oxymethyl]benzene-1,4-diol
CID 170990644
2-chloro-6-[[(1S,2S,4S,5R)-2,5-dihydroxy-4-methylcyclohexyl]oxymethyl]benzene-1,4-diol
CID 170990645

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol?
The IUPAC name of 2-chloro-6-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol (CID 24770502) is 2-chloro-6-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol.
What is the SMILES notation for 2-chloro-6-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol?
The canonical SMILES for 2-chloro-6-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol is Oc1ccc(O)c(COCc2cc(O)cc(Cl)c2O)c1.
What is the InChIKey of 2-chloro-6-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol?
The InChIKey is UFCVCBAKLKAAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO5/c15-12-5-11(17)4-9(14(12)19)7-20-6-8-3-10(16)1-2-13(8)18/h1-5,16-19H,6-7H2.
What are the key properties of 2-chloro-6-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol?
2-chloro-6-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol has a molecular weight of 296.71 g/mol, XLogP of 2.88, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol is sourced from PubChem (CID 24770502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).