(4-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone

C18H19ClO — CID 2803318

IUPAC(4-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1c(C)c(C)c(C(=O)c2ccc(Cl)cc2)c(C)c1C
InChIInChI=1S/C18H19ClO/c1-10-11(2)13(4)17(14(5)12(10)3)18(20)15-6-8-16(19)9-7-15/h6-9H,1-5H3
InChIKeyFTHKOQJCBPQJGR-UHFFFAOYSA-N
MW286.80 g/mol
LogP5.11
Rot. Bonds2

About (4-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone

(4-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone (PubChem CID 2803318) has the molecular formula C18H19ClO and a molecular weight of 286.80 g/mol. Its IUPAC name is (4-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
PubChem CID2803318
Molecular FormulaC18H19ClO
Molecular Weight286.80 g/mol
Exact Mass286.11
IUPAC Name(4-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1c(C)c(C)c(C(=O)c2ccc(Cl)cc2)c(C)c1C
InChIInChI=1S/C18H19ClO/c1-10-11(2)13(4)17(14(5)12(10)3)18(20)15-6-8-16(19)9-7-15/h6-9H,1-5H3
InChIKeyFTHKOQJCBPQJGR-UHFFFAOYSA-N
XLogP5.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.80
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The IUPAC name of (4-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone (CID 2803318) is (4-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone is Cc1c(C)c(C)c(C(=O)c2ccc(Cl)cc2)c(C)c1C.
What is the InChIKey of (4-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The InChIKey is FTHKOQJCBPQJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO/c1-10-11(2)13(4)17(14(5)12(10)3)18(20)15-6-8-16(19)9-7-15/h6-9H,1-5H3.
What are the key properties of (4-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
(4-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone has a molecular weight of 286.80 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone is sourced from PubChem (CID 2803318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).