2-[(R)-(4-chlorophenyl)-tritylsulfanylmethyl]-4-fluorophenol

C32H24ClFOS — CID 132564784

IUPAC2-[(R)-(4-chlorophenyl)-tritylsulfanylmethyl]-4-fluorophenol
SMILESOc1ccc(F)cc1[C@H](SC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C32H24ClFOS/c33-27-18-16-23(17-19-27)31(29-22-28(34)20-21-30(29)35)36-32(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-22,31,35H/t31-/m1/s1
InChIKeyVDHQXWKSDWAGCT-WJOKGBTCSA-N
MW511.06 g/mol
LogP9.00
Rot. Bonds7

About 2-[(R)-(4-chlorophenyl)-tritylsulfanylmethyl]-4-fluorophenol

2-[(R)-(4-chlorophenyl)-tritylsulfanylmethyl]-4-fluorophenol (PubChem CID 132564784) has the molecular formula C32H24ClFOS and a molecular weight of 511.06 g/mol. Its IUPAC name is 2-[(R)-(4-chlorophenyl)-tritylsulfanylmethyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(R)-(4-chlorophenyl)-tritylsulfanylmethyl]-4-fluorophenol
PubChem CID132564784
Molecular FormulaC32H24ClFOS
Molecular Weight511.06 g/mol
Exact Mass510.12
IUPAC Name2-[(R)-(4-chlorophenyl)-tritylsulfanylmethyl]-4-fluorophenol
SMILESOc1ccc(F)cc1[C@H](SC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C32H24ClFOS/c33-27-18-16-23(17-19-27)31(29-22-28(34)20-21-30(29)35)36-32(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-22,31,35H/t31-/m1/s1
InChIKeyVDHQXWKSDWAGCT-WJOKGBTCSA-N
XLogP9.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.06
LogP ≤ 59.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(R)-(4-chlorophenyl)-hydrazinylmethyl]-4-fluorophenol
CID 124633762
4-fluoro-2-(1-phenylethyl)phenol
CID 83382544
4-fluoro-2-[hydroxy(phenyl)methyl]phenol
CID 83392868
2-benzhydrylsulfanyl-4-chlorophenol
CID 139616974
4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol
CID 81350470
N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
CID 176599294
(2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine
CID 105394650
(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methanol
CID 55133948
1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene
CID 91216273
2-(2,5-difluorophenyl)phenol
CID 53218546
4-fluoro-2-(1-hydroxyethyl)phenol
CID 53406163
2-[(4-chlorophenyl)-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethylamino]methyl]phenol
CID 146568394

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(4-chlorophenyl)-tritylsulfanylmethyl]-4-fluorophenol?
The IUPAC name of 2-[(R)-(4-chlorophenyl)-tritylsulfanylmethyl]-4-fluorophenol (CID 132564784) is 2-[(R)-(4-chlorophenyl)-tritylsulfanylmethyl]-4-fluorophenol.
What is the SMILES notation for 2-[(R)-(4-chlorophenyl)-tritylsulfanylmethyl]-4-fluorophenol?
The canonical SMILES for 2-[(R)-(4-chlorophenyl)-tritylsulfanylmethyl]-4-fluorophenol is Oc1ccc(F)cc1[C@H](SC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(R)-(4-chlorophenyl)-tritylsulfanylmethyl]-4-fluorophenol?
The InChIKey is VDHQXWKSDWAGCT-WJOKGBTCSA-N. The full InChI is InChI=1S/C32H24ClFOS/c33-27-18-16-23(17-19-27)31(29-22-28(34)20-21-30(29)35)36-32(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-22,31,35H/t31-/m1/s1.
What are the key properties of 2-[(R)-(4-chlorophenyl)-tritylsulfanylmethyl]-4-fluorophenol?
2-[(R)-(4-chlorophenyl)-tritylsulfanylmethyl]-4-fluorophenol has a molecular weight of 511.06 g/mol, XLogP of 9.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(4-chlorophenyl)-tritylsulfanylmethyl]-4-fluorophenol is sourced from PubChem (CID 132564784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).