4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one

C28H32O — CID 149010744

IUPAC4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one
SMILESCC(=O)CCc1ccc([C@@H]2CC[C@H](C[C@H](C)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C28H32O/c1-20(27-9-5-7-25-6-3-4-8-28(25)27)18-23-14-17-26(19-23)24-15-12-22(13-16-24)11-10-21(2)29/h3-9,12-13,15-16,20,23,26H,10-11,14,17-19H2,1-2H3/t20-,23+,26+/m0/s1
InChIKeyQBMFODHHVANDAA-VAPDBKPJSA-N
MW384.56 g/mol
LogP7.44
Rot. Bonds7

About 4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one

4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one (PubChem CID 149010744) has the molecular formula C28H32O and a molecular weight of 384.56 g/mol. Its IUPAC name is 4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one.

Molecular Properties

Compound Name4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one
PubChem CID149010744
Molecular FormulaC28H32O
Molecular Weight384.56 g/mol
Exact Mass384.25
IUPAC Name4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one
SMILESCC(=O)CCc1ccc([C@@H]2CC[C@H](C[C@H](C)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C28H32O/c1-20(27-9-5-7-25-6-3-4-8-28(25)27)18-23-14-17-26(19-23)24-15-12-22(13-16-24)11-10-21(2)29/h3-9,12-13,15-16,20,23,26H,10-11,14,17-19H2,1-2H3/t20-,23+,26+/m0/s1
InChIKeyQBMFODHHVANDAA-VAPDBKPJSA-N
XLogP7.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one with MolForge

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Related Compounds

carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene
CID 158857640
2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid
CID 147632875
2-methyl-2-[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]propanoic acid
CID 161070660
3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid
CID 68783057
2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid
CID 153234852
2-methyl-2-[3-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]propanoic acid
CID 157186963
1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one
CID 158711749
5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole
CID 148712553
4-(4-cyclobutylphenyl)butan-2-one
CID 116506735
4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]benzoic acid
CID 59617339
4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
CID 68781148
2-[4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]acetic acid
CID 59617292

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one?
The IUPAC name of 4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one (CID 149010744) is 4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one.
What is the SMILES notation for 4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one?
The canonical SMILES for 4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one is CC(=O)CCc1ccc([C@@H]2CC[C@H](C[C@H](C)c3cccc4ccccc34)C2)cc1.
What is the InChIKey of 4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one?
The InChIKey is QBMFODHHVANDAA-VAPDBKPJSA-N. The full InChI is InChI=1S/C28H32O/c1-20(27-9-5-7-25-6-3-4-8-28(25)27)18-23-14-17-26(19-23)24-15-12-22(13-16-24)11-10-21(2)29/h3-9,12-13,15-16,20,23,26H,10-11,14,17-19H2,1-2H3/t20-,23+,26+/m0/s1.
What are the key properties of 4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one?
4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one has a molecular weight of 384.56 g/mol, XLogP of 7.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one is sourced from PubChem (CID 149010744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).