3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol

C19H16O4 — CID 18764787

IUPAC3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol
SMILESOc1ccccc1C(c1ccccc1O)c1cccc(O)c1O
InChIInChI=1S/C19H16O4/c20-15-9-3-1-6-12(15)18(13-7-2-4-10-16(13)21)14-8-5-11-17(22)19(14)23/h1-11,18,20-23H
InChIKeyXOIMGADTIQLNNO-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.69
Rot. Bonds3

About 3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol

3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol (PubChem CID 18764787) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol
PubChem CID18764787
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol
SMILESOc1ccccc1C(c1ccccc1O)c1cccc(O)c1O
InChIInChI=1S/C19H16O4/c20-15-9-3-1-6-12(15)18(13-7-2-4-10-16(13)21)14-8-5-11-17(22)19(14)23/h1-11,18,20-23H
InChIKeyXOIMGADTIQLNNO-UHFFFAOYSA-N
XLogP3.69
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol
CID 141022269
3-(dihydroxymethyl)benzene-1,2-diol
CID 22263395
3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676
benzene-1,2,3-triol
CID 87074018
3-[phenyl-(2,3,4,5-tetrachlorophenyl)methyl]benzene-1,2-diol
CID 158726549
2-amino-6-[bis(2-aminophenyl)methyl]phenol
CID 18365826
3-[2-[2,2-bis(2,3-dihydroxyphenyl)ethoxy]-1-(2,3-dihydroxyphenyl)ethyl]benzene-1,2-diol
CID 150382081
CID 158726548
CID 158726548
2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol
CID 141163589
3-[(1R)-1-hydroxypropyl]benzene-1,2-diol
CID 11229010
2-[(4-aminophenyl)-(2-hydroxyphenyl)methyl]phenol
CID 23032542
2-[furan-2-yl-(2-hydroxyphenyl)methyl]phenol
CID 23341330

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol?
The IUPAC name of 3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol (CID 18764787) is 3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol?
The canonical SMILES for 3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol is Oc1ccccc1C(c1ccccc1O)c1cccc(O)c1O.
What is the InChIKey of 3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol?
The InChIKey is XOIMGADTIQLNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c20-15-9-3-1-6-12(15)18(13-7-2-4-10-16(13)21)14-8-5-11-17(22)19(14)23/h1-11,18,20-23H.
What are the key properties of 3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol?
3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol has a molecular weight of 308.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol is sourced from PubChem (CID 18764787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).