2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol

C26H22O4 — CID 67705842

IUPAC2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol
SMILESOc1ccc(C(c2ccccc2O)C(c2ccc(O)cc2)c2ccccc2O)cc1
InChIInChI=1S/C26H22O4/c27-19-13-9-17(10-14-19)25(21-5-1-3-7-23(21)29)26(18-11-15-20(28)16-12-18)22-6-2-4-8-24(22)30/h1-16,25-30H
InChIKeyZQWCJCDGDHBNMD-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.47
Rot. Bonds5

About 2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol

2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol (PubChem CID 67705842) has the molecular formula C26H22O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol
PubChem CID67705842
Molecular FormulaC26H22O4
Molecular Weight398.46 g/mol
Exact Mass398.15
IUPAC Name2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol
SMILESOc1ccc(C(c2ccccc2O)C(c2ccc(O)cc2)c2ccccc2O)cc1
InChIInChI=1S/C26H22O4/c27-19-13-9-17(10-14-19)25(21-5-1-3-7-23(21)29)26(18-11-15-20(28)16-12-18)22-6-2-4-8-24(22)30/h1-16,25-30H
InChIKeyZQWCJCDGDHBNMD-UHFFFAOYSA-N
XLogP5.47
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol
CID 70581591
benzene-1,2-diol;benzene-1,4-diol
CID 22646089
4-[1-[2-[1-(4-hydroxyphenyl)prop-2-enyl]phenyl]prop-2-enyl]phenol
CID 69420956
methane;phenol;bis(2-propan-2-ylphenol)
CID 162153244
2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol
CID 141163589
2-[(4-aminophenyl)-(2-hydroxyphenyl)methyl]phenol
CID 23032542
2-(difluoromethyl)phenol
CID 21386914
bis(4-[3-(4-hydroxyphenyl)butan-2-yl]phenol);phenol
CID 161418686
4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol
CID 19938176
4-[3-(4-hydroxyphenyl)-2,3-diphenylpropyl]phenol
CID 70441435
(2S)-2-amino-3-(4-hydroxyphenyl)-3-phenylpropanamide
CID 90046511
2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol
CID 23019022

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol (CID 67705842) is 2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol is Oc1ccc(C(c2ccccc2O)C(c2ccc(O)cc2)c2ccccc2O)cc1.
What is the InChIKey of 2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol?
The InChIKey is ZQWCJCDGDHBNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O4/c27-19-13-9-17(10-14-19)25(21-5-1-3-7-23(21)29)26(18-11-15-20(28)16-12-18)22-6-2-4-8-24(22)30/h1-16,25-30H.
What are the key properties of 2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol?
2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol has a molecular weight of 398.46 g/mol, XLogP of 5.47, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 67705842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).