1-[5-acetyl-6-[(4-methoxyphenyl)methyl]-2-methyl-4-phenyl-4H-pyran-3-yl]ethanone

C24H24O4 — CID 101475812

IUPAC1-[5-acetyl-6-[(4-methoxyphenyl)methyl]-2-methyl-4-phenyl-4H-pyran-3-yl]ethanone
SMILESCOc1ccc(CC2=C(C(C)=O)C(c3ccccc3)C(C(C)=O)=C(C)O2)cc1
InChIInChI=1S/C24H24O4/c1-15(25)22-17(3)28-21(14-18-10-12-20(27-4)13-11-18)23(16(2)26)24(22)19-8-6-5-7-9-19/h5-13,24H,14H2,1-4H3
InChIKeyPYWUGFAAJXDYPU-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.76
Rot. Bonds6

About 1-[5-acetyl-6-[(4-methoxyphenyl)methyl]-2-methyl-4-phenyl-4H-pyran-3-yl]ethanone

1-[5-acetyl-6-[(4-methoxyphenyl)methyl]-2-methyl-4-phenyl-4H-pyran-3-yl]ethanone (PubChem CID 101475812) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-[5-acetyl-6-[(4-methoxyphenyl)methyl]-2-methyl-4-phenyl-4H-pyran-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-acetyl-6-[(4-methoxyphenyl)methyl]-2-methyl-4-phenyl-4H-pyran-3-yl]ethanone
PubChem CID101475812
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name1-[5-acetyl-6-[(4-methoxyphenyl)methyl]-2-methyl-4-phenyl-4H-pyran-3-yl]ethanone
SMILESCOc1ccc(CC2=C(C(C)=O)C(c3ccccc3)C(C(C)=O)=C(C)O2)cc1
InChIInChI=1S/C24H24O4/c1-15(25)22-17(3)28-21(14-18-10-12-20(27-4)13-11-18)23(16(2)26)24(22)19-8-6-5-7-9-19/h5-13,24H,14H2,1-4H3
InChIKeyPYWUGFAAJXDYPU-UHFFFAOYSA-N
XLogP4.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-acetyl-6-[(4-methoxyphenyl)methyl]-2-methyl-4-phenyl-4H-pyran-3-yl]ethanone with MolForge

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Related Compounds

1-[4-benzyl-13-(4-methoxyphenyl)-11-methyl-10-oxa-3,5,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaen-12-yl]ethanone
CID 4897294
methyl 6-benzyl-2-methyl-5-(4-methylbenzoyl)-4-phenyl-4H-pyran-3-carboxylate
CID 53381696
5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide
CID 132503264
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone
CID 141104221
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
(4-methoxyphenyl)methyl-phenyliodanium
CID 22385450
1-[(13R)-11-methyl-4-(phenoxymethyl)-13-phenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaen-12-yl]ethanone
CID 7640628
1-[(13R)-4,11-dimethyl-13-phenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaen-12-yl]ethanone
CID 7640801
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone
CID 135004359

Frequently Asked Questions

What is the IUPAC name of 1-[5-acetyl-6-[(4-methoxyphenyl)methyl]-2-methyl-4-phenyl-4H-pyran-3-yl]ethanone?
The IUPAC name of 1-[5-acetyl-6-[(4-methoxyphenyl)methyl]-2-methyl-4-phenyl-4H-pyran-3-yl]ethanone (CID 101475812) is 1-[5-acetyl-6-[(4-methoxyphenyl)methyl]-2-methyl-4-phenyl-4H-pyran-3-yl]ethanone.
What is the SMILES notation for 1-[5-acetyl-6-[(4-methoxyphenyl)methyl]-2-methyl-4-phenyl-4H-pyran-3-yl]ethanone?
The canonical SMILES for 1-[5-acetyl-6-[(4-methoxyphenyl)methyl]-2-methyl-4-phenyl-4H-pyran-3-yl]ethanone is COc1ccc(CC2=C(C(C)=O)C(c3ccccc3)C(C(C)=O)=C(C)O2)cc1.
What is the InChIKey of 1-[5-acetyl-6-[(4-methoxyphenyl)methyl]-2-methyl-4-phenyl-4H-pyran-3-yl]ethanone?
The InChIKey is PYWUGFAAJXDYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-15(25)22-17(3)28-21(14-18-10-12-20(27-4)13-11-18)23(16(2)26)24(22)19-8-6-5-7-9-19/h5-13,24H,14H2,1-4H3.
What are the key properties of 1-[5-acetyl-6-[(4-methoxyphenyl)methyl]-2-methyl-4-phenyl-4H-pyran-3-yl]ethanone?
1-[5-acetyl-6-[(4-methoxyphenyl)methyl]-2-methyl-4-phenyl-4H-pyran-3-yl]ethanone has a molecular weight of 376.45 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-acetyl-6-[(4-methoxyphenyl)methyl]-2-methyl-4-phenyl-4H-pyran-3-yl]ethanone is sourced from PubChem (CID 101475812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).