2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol

C19H16O4 — CID 23019022

IUPAC2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol
SMILESOc1ccc(O)c(C(c2ccccc2)c2cc(O)ccc2O)c1
InChIInChI=1S/C19H16O4/c20-13-6-8-17(22)15(10-13)19(12-4-2-1-3-5-12)16-11-14(21)7-9-18(16)23/h1-11,19-23H
InChIKeyNLOUMBZVDCITCW-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.69
Rot. Bonds3

About 2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol

2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol (PubChem CID 23019022) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol
PubChem CID23019022
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol
SMILESOc1ccc(O)c(C(c2ccccc2)c2cc(O)ccc2O)c1
InChIInChI=1S/C19H16O4/c20-13-6-8-17(22)15(10-13)19(12-4-2-1-3-5-12)16-11-14(21)7-9-18(16)23/h1-11,19-23H
InChIKeyNLOUMBZVDCITCW-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': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol
CID 23019029
2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol
CID 23156103
2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol
CID 23156082
2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol
CID 126693552
4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol
CID 134202922
2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol
CID 25224834
2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol
CID 56611171
4-(1-phenylethyl)benzene-1,3-diol
CID 11171903
4-[chloro(phenyl)methyl]benzene-1,3-diol
CID 66729340
4-[(1R)-1-phenylethyl]benzene-1,3-diol
CID 139072584
2-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-6-[[2-hydroxy-3-[[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-4-(2-methylbutan-2-yl)phenol
CID 23156052
ethane;2-propan-2-ylbenzene-1,4-diol
CID 142526046

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol?
The IUPAC name of 2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol (CID 23019022) is 2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol?
The canonical SMILES for 2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol is Oc1ccc(O)c(C(c2ccccc2)c2cc(O)ccc2O)c1.
What is the InChIKey of 2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol?
The InChIKey is NLOUMBZVDCITCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c20-13-6-8-17(22)15(10-13)19(12-4-2-1-3-5-12)16-11-14(21)7-9-18(16)23/h1-11,19-23H.
What are the key properties of 2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol?
2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-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 2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol is sourced from PubChem (CID 23019022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).