(4-fluorophenyl)-[2-[3-[(4-fluorophenyl)-hydroxymethyl]-4-methylphenyl]-5-methylphenyl]methanone

C28H22F2O2 — CID 58644877

IUPAC(4-fluorophenyl)-[2-[3-[(4-fluorophenyl)-hydroxymethyl]-4-methylphenyl]-5-methylphenyl]methanone
SMILESCc1ccc(-c2ccc(C)c(C(O)c3ccc(F)cc3)c2)c(C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C28H22F2O2/c1-17-3-14-24(26(15-17)28(32)20-8-12-23(30)13-9-20)21-5-4-18(2)25(16-21)27(31)19-6-10-22(29)11-7-19/h3-16,27,31H,1-2H3
InChIKeyFISYBXXSVROTOW-UHFFFAOYSA-N
MW428.48 g/mol
LogP6.56
Rot. Bonds5

About (4-fluorophenyl)-[2-[3-[(4-fluorophenyl)-hydroxymethyl]-4-methylphenyl]-5-methylphenyl]methanone

(4-fluorophenyl)-[2-[3-[(4-fluorophenyl)-hydroxymethyl]-4-methylphenyl]-5-methylphenyl]methanone (PubChem CID 58644877) has the molecular formula C28H22F2O2 and a molecular weight of 428.48 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-[3-[(4-fluorophenyl)-hydroxymethyl]-4-methylphenyl]-5-methylphenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-[3-[(4-fluorophenyl)-hydroxymethyl]-4-methylphenyl]-5-methylphenyl]methanone
PubChem CID58644877
Molecular FormulaC28H22F2O2
Molecular Weight428.48 g/mol
Exact Mass428.16
IUPAC Name(4-fluorophenyl)-[2-[3-[(4-fluorophenyl)-hydroxymethyl]-4-methylphenyl]-5-methylphenyl]methanone
SMILESCc1ccc(-c2ccc(C)c(C(O)c3ccc(F)cc3)c2)c(C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C28H22F2O2/c1-17-3-14-24(26(15-17)28(32)20-8-12-23(30)13-9-20)21-5-4-18(2)25(16-21)27(31)19-6-10-22(29)11-7-19/h3-16,27,31H,1-2H3
InChIKeyFISYBXXSVROTOW-UHFFFAOYSA-N
XLogP6.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.48
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-[3-[(4-fluorophenyl)-hydroxymethyl]-4-methylphenyl]-5-methylphenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-[3-[(4-fluorophenyl)-hydroxymethyl]-4-methylphenyl]-5-methylphenyl]methanone (CID 58644877) is (4-fluorophenyl)-[2-[3-[(4-fluorophenyl)-hydroxymethyl]-4-methylphenyl]-5-methylphenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-[3-[(4-fluorophenyl)-hydroxymethyl]-4-methylphenyl]-5-methylphenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-[3-[(4-fluorophenyl)-hydroxymethyl]-4-methylphenyl]-5-methylphenyl]methanone is Cc1ccc(-c2ccc(C)c(C(O)c3ccc(F)cc3)c2)c(C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of (4-fluorophenyl)-[2-[3-[(4-fluorophenyl)-hydroxymethyl]-4-methylphenyl]-5-methylphenyl]methanone?
The InChIKey is FISYBXXSVROTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2O2/c1-17-3-14-24(26(15-17)28(32)20-8-12-23(30)13-9-20)21-5-4-18(2)25(16-21)27(31)19-6-10-22(29)11-7-19/h3-16,27,31H,1-2H3.
What are the key properties of (4-fluorophenyl)-[2-[3-[(4-fluorophenyl)-hydroxymethyl]-4-methylphenyl]-5-methylphenyl]methanone?
(4-fluorophenyl)-[2-[3-[(4-fluorophenyl)-hydroxymethyl]-4-methylphenyl]-5-methylphenyl]methanone has a molecular weight of 428.48 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-[3-[(4-fluorophenyl)-hydroxymethyl]-4-methylphenyl]-5-methylphenyl]methanone is sourced from PubChem (CID 58644877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).