3-tritylbenzene-1,2-diol

C25H20O2 — CID 68658229

IUPAC3-tritylbenzene-1,2-diol
SMILESOc1cccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C25H20O2/c26-23-18-10-17-22(24(23)27)25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18,26-27H
InChIKeyXJWXAXVPTVZLSO-UHFFFAOYSA-N
MW352.43 g/mol
LogP5.48
Rot. Bonds4

About 3-tritylbenzene-1,2-diol

3-tritylbenzene-1,2-diol (PubChem CID 68658229) has the molecular formula C25H20O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-tritylbenzene-1,2-diol.

Molecular Properties

Compound Name3-tritylbenzene-1,2-diol
PubChem CID68658229
Molecular FormulaC25H20O2
Molecular Weight352.43 g/mol
Exact Mass352.15
IUPAC Name3-tritylbenzene-1,2-diol
SMILESOc1cccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C25H20O2/c26-23-18-10-17-22(24(23)27)25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18,26-27H
InChIKeyXJWXAXVPTVZLSO-UHFFFAOYSA-N
XLogP5.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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CID 7381
Masoprocol
CID 71398
Nordihydroguaretic acid
CID 4534
1,1-Bis(4-hydroxyphenyl)cyclohexane
CID 232446
1,1,1-Tris(4-hydroxyphenyl)ethane
CID 93118
4,4'-(1-(4-(1-(4-Hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)diphenol
CID 634278
3-Pentadecylcatechol
CID 68118
Urushiol
CID 44144477
3-Isopropylcatechol
CID 16498
2,3-Dihydroxybiphenyl
CID 254
4,4'-(1-Phenylethylidene)bisphenol
CID 623849
3,4-Biphenyldiol
CID 7075

Frequently Asked Questions

What is the IUPAC name of 3-tritylbenzene-1,2-diol?
The IUPAC name of 3-tritylbenzene-1,2-diol (CID 68658229) is 3-tritylbenzene-1,2-diol.
What is the SMILES notation for 3-tritylbenzene-1,2-diol?
The canonical SMILES for 3-tritylbenzene-1,2-diol is Oc1cccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1O.
What is the InChIKey of 3-tritylbenzene-1,2-diol?
The InChIKey is XJWXAXVPTVZLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O2/c26-23-18-10-17-22(24(23)27)25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18,26-27H.
What are the key properties of 3-tritylbenzene-1,2-diol?
3-tritylbenzene-1,2-diol has a molecular weight of 352.43 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tritylbenzene-1,2-diol is sourced from PubChem (CID 68658229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).