(4,4-dimethyl-2-phenylcyclopent-2-en-1-yl)-(2,3,4,5,6-pentamethylphenyl)methanone

C25H30O — CID 162416620

IUPAC(4,4-dimethyl-2-phenylcyclopent-2-en-1-yl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1c(C)c(C)c(C(=O)C2CC(C)(C)C=C2c2ccccc2)c(C)c1C
InChIInChI=1S/C25H30O/c1-15-16(2)18(4)23(19(5)17(15)3)24(26)22-14-25(6,7)13-21(22)20-11-9-8-10-12-20/h8-13,22H,14H2,1-7H3
InChIKeyGTHDMLLAJNTWHH-UHFFFAOYSA-N
MW346.51 g/mol
LogP6.54
Rot. Bonds3

About (4,4-dimethyl-2-phenylcyclopent-2-en-1-yl)-(2,3,4,5,6-pentamethylphenyl)methanone

(4,4-dimethyl-2-phenylcyclopent-2-en-1-yl)-(2,3,4,5,6-pentamethylphenyl)methanone (PubChem CID 162416620) has the molecular formula C25H30O and a molecular weight of 346.51 g/mol. Its IUPAC name is (4,4-dimethyl-2-phenylcyclopent-2-en-1-yl)-(2,3,4,5,6-pentamethylphenyl)methanone.

Molecular Properties

Compound Name(4,4-dimethyl-2-phenylcyclopent-2-en-1-yl)-(2,3,4,5,6-pentamethylphenyl)methanone
PubChem CID162416620
Molecular FormulaC25H30O
Molecular Weight346.51 g/mol
Exact Mass346.23
IUPAC Name(4,4-dimethyl-2-phenylcyclopent-2-en-1-yl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1c(C)c(C)c(C(=O)C2CC(C)(C)C=C2c2ccccc2)c(C)c1C
InChIInChI=1S/C25H30O/c1-15-16(2)18(4)23(19(5)17(15)3)24(26)22-14-25(6,7)13-21(22)20-11-9-8-10-12-20/h8-13,22H,14H2,1-7H3
InChIKeyGTHDMLLAJNTWHH-UHFFFAOYSA-N
XLogP6.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.51
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-2-phenylcyclopent-2-en-1-yl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The IUPAC name of (4,4-dimethyl-2-phenylcyclopent-2-en-1-yl)-(2,3,4,5,6-pentamethylphenyl)methanone (CID 162416620) is (4,4-dimethyl-2-phenylcyclopent-2-en-1-yl)-(2,3,4,5,6-pentamethylphenyl)methanone.
What is the SMILES notation for (4,4-dimethyl-2-phenylcyclopent-2-en-1-yl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The canonical SMILES for (4,4-dimethyl-2-phenylcyclopent-2-en-1-yl)-(2,3,4,5,6-pentamethylphenyl)methanone is Cc1c(C)c(C)c(C(=O)C2CC(C)(C)C=C2c2ccccc2)c(C)c1C.
What is the InChIKey of (4,4-dimethyl-2-phenylcyclopent-2-en-1-yl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The InChIKey is GTHDMLLAJNTWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O/c1-15-16(2)18(4)23(19(5)17(15)3)24(26)22-14-25(6,7)13-21(22)20-11-9-8-10-12-20/h8-13,22H,14H2,1-7H3.
What are the key properties of (4,4-dimethyl-2-phenylcyclopent-2-en-1-yl)-(2,3,4,5,6-pentamethylphenyl)methanone?
(4,4-dimethyl-2-phenylcyclopent-2-en-1-yl)-(2,3,4,5,6-pentamethylphenyl)methanone has a molecular weight of 346.51 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-2-phenylcyclopent-2-en-1-yl)-(2,3,4,5,6-pentamethylphenyl)methanone is sourced from PubChem (CID 162416620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).