3-methyl-1-(3-phenylcyclopentyl)butan-2-one

C16H22O — CID 155207615

IUPAC3-methyl-1-(3-phenylcyclopentyl)butan-2-one
SMILESCC(C)C(=O)CC1CCC(c2ccccc2)C1
InChIInChI=1S/C16H22O/c1-12(2)16(17)11-13-8-9-15(10-13)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyMTVYUZONYYUKTH-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.19
Rot. Bonds4

About 3-methyl-1-(3-phenylcyclopentyl)butan-2-one

3-methyl-1-(3-phenylcyclopentyl)butan-2-one (PubChem CID 155207615) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-methyl-1-(3-phenylcyclopentyl)butan-2-one.

Molecular Properties

Compound Name3-methyl-1-(3-phenylcyclopentyl)butan-2-one
PubChem CID155207615
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name3-methyl-1-(3-phenylcyclopentyl)butan-2-one
SMILESCC(C)C(=O)CC1CCC(c2ccccc2)C1
InChIInChI=1S/C16H22O/c1-12(2)16(17)11-13-8-9-15(10-13)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyMTVYUZONYYUKTH-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid
CID 82295362
[(1R,3S)-3-phenylcyclopentyl]methanamine
CID 95435358
[(1S,3R)-3-phenylcyclopentyl]methanamine
CID 95435355
3-methyl-1-(3-methylcyclopentyl)butan-2-one
CID 167693796
2-[(4-phenylcyclohexyl)methyl]propanedioic acid
CID 18768944
2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68683333
2-[(3S)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68682784
(2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid
CID 122038120
2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid
CID 82295855
2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid
CID 119237415
CID 161473720
CID 161473720
N-(4-cyanophenyl)-2-[(1R,3S)-3-phenylcyclopentyl]acetamide
CID 121324973

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-phenylcyclopentyl)butan-2-one?
The IUPAC name of 3-methyl-1-(3-phenylcyclopentyl)butan-2-one (CID 155207615) is 3-methyl-1-(3-phenylcyclopentyl)butan-2-one.
What is the SMILES notation for 3-methyl-1-(3-phenylcyclopentyl)butan-2-one?
The canonical SMILES for 3-methyl-1-(3-phenylcyclopentyl)butan-2-one is CC(C)C(=O)CC1CCC(c2ccccc2)C1.
What is the InChIKey of 3-methyl-1-(3-phenylcyclopentyl)butan-2-one?
The InChIKey is MTVYUZONYYUKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-12(2)16(17)11-13-8-9-15(10-13)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3.
What are the key properties of 3-methyl-1-(3-phenylcyclopentyl)butan-2-one?
3-methyl-1-(3-phenylcyclopentyl)butan-2-one has a molecular weight of 230.35 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-phenylcyclopentyl)butan-2-one is sourced from PubChem (CID 155207615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).