2-(4-hydroxyphenoxy)benzene-1,3,5-triol

C12H10O5 — CID 14020522

IUPAC2-(4-hydroxyphenoxy)benzene-1,3,5-triol
SMILESOc1ccc(Oc2c(O)cc(O)cc2O)cc1
InChIInChI=1S/C12H10O5/c13-7-1-3-9(4-2-7)17-12-10(15)5-8(14)6-11(12)16/h1-6,13-16H
InChIKeySGBNKUZUONLIQG-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.30
Rot. Bonds2

About 2-(4-hydroxyphenoxy)benzene-1,3,5-triol

2-(4-hydroxyphenoxy)benzene-1,3,5-triol (PubChem CID 14020522) has the molecular formula C12H10O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-(4-hydroxyphenoxy)benzene-1,3,5-triol.

Molecular Properties

Compound Name2-(4-hydroxyphenoxy)benzene-1,3,5-triol
PubChem CID14020522
Molecular FormulaC12H10O5
Molecular Weight234.21 g/mol
Exact Mass234.05
IUPAC Name2-(4-hydroxyphenoxy)benzene-1,3,5-triol
SMILESOc1ccc(Oc2c(O)cc(O)cc2O)cc1
InChIInChI=1S/C12H10O5/c13-7-1-3-9(4-2-7)17-12-10(15)5-8(14)6-11(12)16/h1-6,13-16H
InChIKeySGBNKUZUONLIQG-UHFFFAOYSA-N
XLogP2.30
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-[4-[4-[4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]benzene-1,3,5-triol
CID 71655821
bis(4-(4-hydroxyphenoxy)phenol);hydrate
CID 67711282
5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol
CID 139830617
2-(2,3,5-trihydroxyphenoxy)benzene-1,3,5-triol
CID 170899509
4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol
CID 58792408
5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol
CID 162973517
ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol
CID 68628937
5-[2-(4-hydroxyphenyl)ethyl]-2-[3-[2-(3-hydroxyphenyl)ethyl]phenoxy]benzene-1,3-diol
CID 172870724
4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol
CID 144813856
4-(4-iodophenoxy)phenol
CID 12940617
4-(4-hydroxyphenoxy)-2,5-dimethylphenol
CID 18696457
2,5-dichloro-4-(4-hydroxyphenoxy)phenol
CID 14591774

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenoxy)benzene-1,3,5-triol?
The IUPAC name of 2-(4-hydroxyphenoxy)benzene-1,3,5-triol (CID 14020522) is 2-(4-hydroxyphenoxy)benzene-1,3,5-triol.
What is the SMILES notation for 2-(4-hydroxyphenoxy)benzene-1,3,5-triol?
The canonical SMILES for 2-(4-hydroxyphenoxy)benzene-1,3,5-triol is Oc1ccc(Oc2c(O)cc(O)cc2O)cc1.
What is the InChIKey of 2-(4-hydroxyphenoxy)benzene-1,3,5-triol?
The InChIKey is SGBNKUZUONLIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5/c13-7-1-3-9(4-2-7)17-12-10(15)5-8(14)6-11(12)16/h1-6,13-16H.
What are the key properties of 2-(4-hydroxyphenoxy)benzene-1,3,5-triol?
2-(4-hydroxyphenoxy)benzene-1,3,5-triol has a molecular weight of 234.21 g/mol, XLogP of 2.30, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenoxy)benzene-1,3,5-triol is sourced from PubChem (CID 14020522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).