7-[3-(1-methyl-1H-inden-2-yl)phenyl]-1-phenyl-4-propylheptan-3-one

C32H36O — CID 143816119

IUPAC7-[3-(1-methyl-1H-inden-2-yl)phenyl]-1-phenyl-4-propylheptan-3-one
SMILESCCCC(CCCc1cccc(C2=Cc3ccccc3C2C)c1)C(=O)CCc1ccccc1
InChIInChI=1S/C32H36O/c1-3-11-27(32(33)21-20-25-12-5-4-6-13-25)17-9-14-26-15-10-18-28(22-26)31-23-29-16-7-8-19-30(29)24(31)2/h4-8,10,12-13,15-16,18-19,22-24,27H,3,9,11,14,17,20-21H2,1-2H3
InChIKeyWUDFDSAMTVPUDS-UHFFFAOYSA-N
MW436.64 g/mol
LogP8.29
Rot. Bonds11

About 7-[3-(1-methyl-1H-inden-2-yl)phenyl]-1-phenyl-4-propylheptan-3-one

7-[3-(1-methyl-1H-inden-2-yl)phenyl]-1-phenyl-4-propylheptan-3-one (PubChem CID 143816119) has the molecular formula C32H36O and a molecular weight of 436.64 g/mol. Its IUPAC name is 7-[3-(1-methyl-1H-inden-2-yl)phenyl]-1-phenyl-4-propylheptan-3-one.

Molecular Properties

Compound Name7-[3-(1-methyl-1H-inden-2-yl)phenyl]-1-phenyl-4-propylheptan-3-one
PubChem CID143816119
Molecular FormulaC32H36O
Molecular Weight436.64 g/mol
Exact Mass436.28
IUPAC Name7-[3-(1-methyl-1H-inden-2-yl)phenyl]-1-phenyl-4-propylheptan-3-one
SMILESCCCC(CCCc1cccc(C2=Cc3ccccc3C2C)c1)C(=O)CCc1ccccc1
InChIInChI=1S/C32H36O/c1-3-11-27(32(33)21-20-25-12-5-4-6-13-25)17-9-14-26-15-10-18-28(22-26)31-23-29-16-7-8-19-30(29)24(31)2/h4-8,10,12-13,15-16,18-19,22-24,27H,3,9,11,14,17,20-21H2,1-2H3
InChIKeyWUDFDSAMTVPUDS-UHFFFAOYSA-N
XLogP8.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-1-[3-(1-methyl-1H-inden-2-yl)phenyl]pentadecan-6-one
CID 143816153
5-ethyl-1-[3-(1-ethyl-1H-inden-2-yl)phenyl]dodecan-6-one
CID 143816330
5-(aminomethyl)-1-phenyloctan-4-one
CID 116574452
4-ethyl-1-phenylhexan-3-one
CID 71072308
(4S)-4-methyl-1-phenyldecan-3-one
CID 134925721
2-[2-[4-[3-(4-carboxybutyl)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid
CID 151610990
ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate
CID 67187832
4-methoxy-1-phenylheptan-3-one
CID 116708295
1-(4-methylpentyl)-3-phenylbenzene
CID 19790542
(2S)-2-(8-phenyloctanoylamino)pentanoic acid
CID 67898131
6-hydroxy-3-(2-phenylethyl)hexan-2-one
CID 174363911
2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136

Frequently Asked Questions

What is the IUPAC name of 7-[3-(1-methyl-1H-inden-2-yl)phenyl]-1-phenyl-4-propylheptan-3-one?
The IUPAC name of 7-[3-(1-methyl-1H-inden-2-yl)phenyl]-1-phenyl-4-propylheptan-3-one (CID 143816119) is 7-[3-(1-methyl-1H-inden-2-yl)phenyl]-1-phenyl-4-propylheptan-3-one.
What is the SMILES notation for 7-[3-(1-methyl-1H-inden-2-yl)phenyl]-1-phenyl-4-propylheptan-3-one?
The canonical SMILES for 7-[3-(1-methyl-1H-inden-2-yl)phenyl]-1-phenyl-4-propylheptan-3-one is CCCC(CCCc1cccc(C2=Cc3ccccc3C2C)c1)C(=O)CCc1ccccc1.
What is the InChIKey of 7-[3-(1-methyl-1H-inden-2-yl)phenyl]-1-phenyl-4-propylheptan-3-one?
The InChIKey is WUDFDSAMTVPUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36O/c1-3-11-27(32(33)21-20-25-12-5-4-6-13-25)17-9-14-26-15-10-18-28(22-26)31-23-29-16-7-8-19-30(29)24(31)2/h4-8,10,12-13,15-16,18-19,22-24,27H,3,9,11,14,17,20-21H2,1-2H3.
What are the key properties of 7-[3-(1-methyl-1H-inden-2-yl)phenyl]-1-phenyl-4-propylheptan-3-one?
7-[3-(1-methyl-1H-inden-2-yl)phenyl]-1-phenyl-4-propylheptan-3-one has a molecular weight of 436.64 g/mol, XLogP of 8.29, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1-methyl-1H-inden-2-yl)phenyl]-1-phenyl-4-propylheptan-3-one is sourced from PubChem (CID 143816119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).