2-[2-(4-methoxyphenyl)-5,5-dimethylcyclopent-2-en-1-yl]-1-phenylethanone

C22H24O2 — CID 102147695

IUPAC2-[2-(4-methoxyphenyl)-5,5-dimethylcyclopent-2-en-1-yl]-1-phenylethanone
SMILESCOc1ccc(C2=CCC(C)(C)C2CC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H24O2/c1-22(2)14-13-19(16-9-11-18(24-3)12-10-16)20(22)15-21(23)17-7-5-4-6-8-17/h4-13,20H,14-15H2,1-3H3
InChIKeyPGZLTJVZHXFDCZ-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.40
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)-5,5-dimethylcyclopent-2-en-1-yl]-1-phenylethanone

2-[2-(4-methoxyphenyl)-5,5-dimethylcyclopent-2-en-1-yl]-1-phenylethanone (PubChem CID 102147695) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-5,5-dimethylcyclopent-2-en-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-5,5-dimethylcyclopent-2-en-1-yl]-1-phenylethanone
PubChem CID102147695
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name2-[2-(4-methoxyphenyl)-5,5-dimethylcyclopent-2-en-1-yl]-1-phenylethanone
SMILESCOc1ccc(C2=CCC(C)(C)C2CC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H24O2/c1-22(2)14-13-19(16-9-11-18(24-3)12-10-16)20(22)15-21(23)17-7-5-4-6-8-17/h4-13,20H,14-15H2,1-3H3
InChIKeyPGZLTJVZHXFDCZ-UHFFFAOYSA-N
XLogP5.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4,4-dimethyl-5-phenacylcyclopenten-1-yl)benzaldehyde
CID 102147697
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone
CID 66570582
anisole;1-phenylpropan-1-one;propan-2-one
CID 174786879
(3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione
CID 23661145
2-[2-hydroxy-1-[(4-methoxyphenyl)methyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]-1-phenylethanone
CID 149450450
2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone
CID 102431090
S-phenacyl 4-methoxybenzenecarbothioate
CID 135051267
2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
CID 10334404
4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 71421950
2-[(4aR,6S,8aS)-2-(4-methoxyphenyl)-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]-1-phenylethanone
CID 71665514
2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone
CID 82053413

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-5,5-dimethylcyclopent-2-en-1-yl]-1-phenylethanone?
The IUPAC name of 2-[2-(4-methoxyphenyl)-5,5-dimethylcyclopent-2-en-1-yl]-1-phenylethanone (CID 102147695) is 2-[2-(4-methoxyphenyl)-5,5-dimethylcyclopent-2-en-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-5,5-dimethylcyclopent-2-en-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-5,5-dimethylcyclopent-2-en-1-yl]-1-phenylethanone is COc1ccc(C2=CCC(C)(C)C2CC(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-5,5-dimethylcyclopent-2-en-1-yl]-1-phenylethanone?
The InChIKey is PGZLTJVZHXFDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2/c1-22(2)14-13-19(16-9-11-18(24-3)12-10-16)20(22)15-21(23)17-7-5-4-6-8-17/h4-13,20H,14-15H2,1-3H3.
What are the key properties of 2-[2-(4-methoxyphenyl)-5,5-dimethylcyclopent-2-en-1-yl]-1-phenylethanone?
2-[2-(4-methoxyphenyl)-5,5-dimethylcyclopent-2-en-1-yl]-1-phenylethanone has a molecular weight of 320.43 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-5,5-dimethylcyclopent-2-en-1-yl]-1-phenylethanone is sourced from PubChem (CID 102147695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).