4-benzhydrylbenzene-1,2,3-triol

C19H16O3 — CID 23432389

IUPAC4-benzhydrylbenzene-1,2,3-triol
SMILESOc1ccc(C(c2ccccc2)c2ccccc2)c(O)c1O
InChIInChI=1S/C19H16O3/c20-16-12-11-15(18(21)19(16)22)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17,20-22H
InChIKeyDWFKWQQWNDMKQX-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.98
Rot. Bonds3

About 4-benzhydrylbenzene-1,2,3-triol

4-benzhydrylbenzene-1,2,3-triol (PubChem CID 23432389) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-benzhydrylbenzene-1,2,3-triol.

Molecular Properties

Compound Name4-benzhydrylbenzene-1,2,3-triol
PubChem CID23432389
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name4-benzhydrylbenzene-1,2,3-triol
SMILESOc1ccc(C(c2ccccc2)c2ccccc2)c(O)c1O
InChIInChI=1S/C19H16O3/c20-16-12-11-15(18(21)19(16)22)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17,20-22H
InChIKeyDWFKWQQWNDMKQX-UHFFFAOYSA-N
XLogP3.98
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.98
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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Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylbenzene-1,2,3-triol?
The IUPAC name of 4-benzhydrylbenzene-1,2,3-triol (CID 23432389) is 4-benzhydrylbenzene-1,2,3-triol.
What is the SMILES notation for 4-benzhydrylbenzene-1,2,3-triol?
The canonical SMILES for 4-benzhydrylbenzene-1,2,3-triol is Oc1ccc(C(c2ccccc2)c2ccccc2)c(O)c1O.
What is the InChIKey of 4-benzhydrylbenzene-1,2,3-triol?
The InChIKey is DWFKWQQWNDMKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c20-16-12-11-15(18(21)19(16)22)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17,20-22H.
What are the key properties of 4-benzhydrylbenzene-1,2,3-triol?
4-benzhydrylbenzene-1,2,3-triol has a molecular weight of 292.33 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylbenzene-1,2,3-triol is sourced from PubChem (CID 23432389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).