2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one

C24H24O3 — CID 15140152

IUPAC2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one
SMILESCOc1ccc(C2=CC(c3ccccc3)C3=C(CC(C)(C)CC3=O)O2)cc1
InChIInChI=1S/C24H24O3/c1-24(2)14-20(25)23-19(16-7-5-4-6-8-16)13-21(27-22(23)15-24)17-9-11-18(26-3)12-10-17/h4-13,19H,14-15H2,1-3H3
InChIKeyFYJKMMXJUVKIIV-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.49
Rot. Bonds3

About 2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one

2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one (PubChem CID 15140152) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one
PubChem CID15140152
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one
SMILESCOc1ccc(C2=CC(c3ccccc3)C3=C(CC(C)(C)CC3=O)O2)cc1
InChIInChI=1S/C24H24O3/c1-24(2)14-20(25)23-19(16-7-5-4-6-8-16)13-21(27-22(23)15-24)17-9-11-18(26-3)12-10-17/h4-13,19H,14-15H2,1-3H3
InChIKeyFYJKMMXJUVKIIV-UHFFFAOYSA-N
XLogP5.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-dimethyl-4-(4-nitrophenyl)-2-phenyl-6,8-dihydro-4H-chromen-5-one
CID 102470484
4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-6,8-dihydro-4H-chromene-3-carboxamide
CID 172676377
12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 101493789
(9S)-9-(4-methoxyphenyl)-5,5-dimethyl-13-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one
CID 2024583
7-methoxy-2,4-diphenyl-4H-chromene
CID 10380919
8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one
CID 3353892
4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-6,8-dihydro-4H-chromene-3-carbonitrile
CID 3302837
2,7,7-trimethyl-4-phenyl-1,4,6,8-tetrahydroquinolin-5-one
CID 25194423
(3R,4S)-3-ethyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyran-2-one
CID 101394052
13-(4-methoxyphenyl)-5,5-dimethyl-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one
CID 4893430
(4S)-3-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 136750801
2-(4-methoxyphenyl)-4-methyl-6-phenyl-4H-1,3-oxazine
CID 74947618

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one?
The IUPAC name of 2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one (CID 15140152) is 2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one?
The canonical SMILES for 2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one is COc1ccc(C2=CC(c3ccccc3)C3=C(CC(C)(C)CC3=O)O2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one?
The InChIKey is FYJKMMXJUVKIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-24(2)14-20(25)23-19(16-7-5-4-6-8-16)13-21(27-22(23)15-24)17-9-11-18(26-3)12-10-17/h4-13,19H,14-15H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one?
2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one has a molecular weight of 360.45 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one is sourced from PubChem (CID 15140152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).