3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol

C26H22O3 — CID 118041075

IUPAC3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol
SMILESCc1cccc(C(c2ccccc2)(c2ccccc2)c2cccc(O)c2O)c1O
InChIInChI=1S/C26H22O3/c1-18-10-8-15-21(24(18)28)26(19-11-4-2-5-12-19,20-13-6-3-7-14-20)22-16-9-17-23(27)25(22)29/h2-17,27-29H,1H3
InChIKeyAVUXLFVMLPRRRH-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.49
Rot. Bonds4

About 3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol

3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol (PubChem CID 118041075) has the molecular formula C26H22O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol
PubChem CID118041075
Molecular FormulaC26H22O3
Molecular Weight382.46 g/mol
Exact Mass382.16
IUPAC Name3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol
SMILESCc1cccc(C(c2ccccc2)(c2ccccc2)c2cccc(O)c2O)c1O
InChIInChI=1S/C26H22O3/c1-18-10-8-15-21(24(18)28)26(19-11-4-2-5-12-19,20-13-6-3-7-14-20)22-16-9-17-23(27)25(22)29/h2-17,27-29H,1H3
InChIKeyAVUXLFVMLPRRRH-UHFFFAOYSA-N
XLogP5.49
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

3-tritylbenzene-1,2-diol
CID 68658229
2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol
CID 23082352
3-methylbenzene-1,2-diol
CID 135381405
2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol
CID 70521659
2-tert-butyl-6-methylphenol
CID 16678
benzene-1,2,3-triol;1,2-xylene
CID 175355365
2-methyl-6-(trifluoromethyl)phenol
CID 14672062
2-tert-butyl-6-methylphenol;methane
CID 159779150
2-(2,3-dihydroxyphenyl)-2-phenylpropanedioic acid
CID 150062060
CID 175980360
CID 175980360
6-[(2-hydroxy-4-methyl-3-prop-1-enylphenyl)-diphenylmethyl]-3-methyl-2-prop-1-enylphenol
CID 139903516
sodium;3-methylbenzene-1,2-diol;chloride
CID 174915760

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol?
The IUPAC name of 3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol (CID 118041075) is 3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol?
The canonical SMILES for 3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol is Cc1cccc(C(c2ccccc2)(c2ccccc2)c2cccc(O)c2O)c1O.
What is the InChIKey of 3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol?
The InChIKey is AVUXLFVMLPRRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O3/c1-18-10-8-15-21(24(18)28)26(19-11-4-2-5-12-19,20-13-6-3-7-14-20)22-16-9-17-23(27)25(22)29/h2-17,27-29H,1H3.
What are the key properties of 3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol?
3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol has a molecular weight of 382.46 g/mol, XLogP of 5.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol is sourced from PubChem (CID 118041075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).