[3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone

C24H23ClO2 — CID 3067129

IUPAC[3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone
SMILESCC(C)(COCc1cccc(C(=O)c2ccccc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClO2/c1-24(2,21-11-13-22(25)14-12-21)17-27-16-18-7-6-10-20(15-18)23(26)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3
InChIKeyHKRQCVQVDLJMBV-UHFFFAOYSA-N
MW378.90 g/mol
LogP6.07
Rot. Bonds7

About [3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone

[3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone (PubChem CID 3067129) has the molecular formula C24H23ClO2 and a molecular weight of 378.90 g/mol. Its IUPAC name is [3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone
PubChem CID3067129
Molecular FormulaC24H23ClO2
Molecular Weight378.90 g/mol
Exact Mass378.14
IUPAC Name[3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone
SMILESCC(C)(COCc1cccc(C(=O)c2ccccc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClO2/c1-24(2,21-11-13-22(25)14-12-21)17-27-16-18-7-6-10-20(15-18)23(26)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3
InChIKeyHKRQCVQVDLJMBV-UHFFFAOYSA-N
XLogP6.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone?
The IUPAC name of [3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone (CID 3067129) is [3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone.
What is the SMILES notation for [3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone?
The canonical SMILES for [3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone is CC(C)(COCc1cccc(C(=O)c2ccccc2)c1)c1ccc(Cl)cc1.
What is the InChIKey of [3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone?
The InChIKey is HKRQCVQVDLJMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClO2/c1-24(2,21-11-13-22(25)14-12-21)17-27-16-18-7-6-10-20(15-18)23(26)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3.
What are the key properties of [3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone?
[3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone has a molecular weight of 378.90 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone is sourced from PubChem (CID 3067129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).