1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one

C28H32O2 — CID 158711749

IUPAC1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one
SMILESCC(=O)COc1ccc([C@@H]2CCC(C[C@H](C)c3ccc(C)c4ccccc34)C2)cc1
InChIInChI=1S/C28H32O2/c1-19-8-15-27(28-7-5-4-6-26(19)28)20(2)16-22-9-10-24(17-22)23-11-13-25(14-12-23)30-18-21(3)29/h4-8,11-15,20,22,24H,9-10,16-18H2,1-3H3/t20-,22?,24+/m0/s1
InChIKeyIIUSNQUZCOJGBY-BRGACJNDSA-N
MW400.56 g/mol
LogP7.19
Rot. Bonds7

About 1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one

1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one (PubChem CID 158711749) has the molecular formula C28H32O2 and a molecular weight of 400.56 g/mol. Its IUPAC name is 1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one.

Molecular Properties

Compound Name1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one
PubChem CID158711749
Molecular FormulaC28H32O2
Molecular Weight400.56 g/mol
Exact Mass400.24
IUPAC Name1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one
SMILESCC(=O)COc1ccc([C@@H]2CCC(C[C@H](C)c3ccc(C)c4ccccc34)C2)cc1
InChIInChI=1S/C28H32O2/c1-19-8-15-27(28-7-5-4-6-26(19)28)20(2)16-22-9-10-24(17-22)23-11-13-25(14-12-23)30-18-21(3)29/h4-8,11-15,20,22,24H,9-10,16-18H2,1-3H3/t20-,22?,24+/m0/s1
InChIKeyIIUSNQUZCOJGBY-BRGACJNDSA-N
XLogP7.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.56
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one with MolForge

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Related Compounds

2-methyl-2-[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]propanoic acid
CID 161070660
4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one
CID 149010744
5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole
CID 148712553
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
carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene
CID 158857640
4-[(2S)-1-[(3R)-3-(4-methylsulfonylphenyl)cyclopentyl]propan-2-yl]quinoline
CID 157330811
1-[4-[(1R)-3-[(2S)-2-(4-fluoro-2-methoxyphenyl)propyl]cyclopentyl]phenoxy]-3-methylsulfonylpropan-2-one;methane;molecular hydrogen
CID 159537565
2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid
CID 147632875
1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698888
[3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol
CID 143710409
2-hydroxy-3-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]propanoic acid
CID 141396243

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one?
The IUPAC name of 1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one (CID 158711749) is 1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one.
What is the SMILES notation for 1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one?
The canonical SMILES for 1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one is CC(=O)COc1ccc([C@@H]2CCC(C[C@H](C)c3ccc(C)c4ccccc34)C2)cc1.
What is the InChIKey of 1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one?
The InChIKey is IIUSNQUZCOJGBY-BRGACJNDSA-N. The full InChI is InChI=1S/C28H32O2/c1-19-8-15-27(28-7-5-4-6-26(19)28)20(2)16-22-9-10-24(17-22)23-11-13-25(14-12-23)30-18-21(3)29/h4-8,11-15,20,22,24H,9-10,16-18H2,1-3H3/t20-,22?,24+/m0/s1.
What are the key properties of 1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one?
1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one has a molecular weight of 400.56 g/mol, XLogP of 7.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one is sourced from PubChem (CID 158711749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).