[4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate

C26H20O3 — CID 89040248

IUPAC[4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate
SMILESO=COc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H20O3/c27-19-29-25-17-13-23(14-18-25)26(20-7-3-1-4-8-20,21-9-5-2-6-10-21)22-11-15-24(28)16-12-22/h1-19,28H
InChIKeyWNLOYVDSVWHULY-UHFFFAOYSA-N
MW380.44 g/mol
LogP5.31
Rot. Bonds6

About [4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate

[4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate (PubChem CID 89040248) has the molecular formula C26H20O3 and a molecular weight of 380.44 g/mol. Its IUPAC name is [4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate.

Molecular Properties

Compound Name[4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate
PubChem CID89040248
Molecular FormulaC26H20O3
Molecular Weight380.44 g/mol
Exact Mass380.14
IUPAC Name[4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate
SMILESO=COc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H20O3/c27-19-29-25-17-13-23(14-18-25)26(20-7-3-1-4-8-20,21-9-5-2-6-10-21)22-11-15-24(28)16-12-22/h1-19,28H
InChIKeyWNLOYVDSVWHULY-UHFFFAOYSA-N
XLogP5.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903
4-[bis(4-carboxyphenyl)-(4-formyloxyphenyl)methyl]benzoic acid
CID 162704125
(4-tert-butylphenyl) formate
CID 15727718
(3,5-dihydroxyphenyl) formate;phenol
CID 174915254
λ2-plumbane;phenyl formate
CID 174910364
4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 139680457
(4-tritylphenyl) dihydrogen phosphate
CID 154267652
4-[[(4-hydroxyphenyl)-diphenylmethoxy]-diphenylmethyl]phenol
CID 91006849
4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol
CID 59253853
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate
CID 58351625
phenyl 4-formyloxybenzoate
CID 118686744
(3-hydroxy-4-sulfanylphenyl) formate
CID 174696612

Frequently Asked Questions

What is the IUPAC name of [4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate?
The IUPAC name of [4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate (CID 89040248) is [4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate.
What is the SMILES notation for [4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate?
The canonical SMILES for [4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate is O=COc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of [4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate?
The InChIKey is WNLOYVDSVWHULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O3/c27-19-29-25-17-13-23(14-18-25)26(20-7-3-1-4-8-20,21-9-5-2-6-10-21)22-11-15-24(28)16-12-22/h1-19,28H.
What are the key properties of [4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate?
[4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate has a molecular weight of 380.44 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate is sourced from PubChem (CID 89040248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).