(1R)-1-benzyl-3-methyl-1-[(E)-3-phenylprop-2-enyl]naphthalen-2-one

C27H24O — CID 134957573

IUPAC(1R)-1-benzyl-3-methyl-1-[(E)-3-phenylprop-2-enyl]naphthalen-2-one
SMILESCC1=Cc2ccccc2[C@@](C/C=C/c2ccccc2)(Cc2ccccc2)C1=O
InChIInChI=1S/C27H24O/c1-21-19-24-16-8-9-17-25(24)27(26(21)28,20-23-13-6-3-7-14-23)18-10-15-22-11-4-2-5-12-22/h2-17,19H,18,20H2,1H3/b15-10+/t27-/m1/s1
InChIKeyGMIULIQNHFDTDV-UDKPXMKSSA-N
MW364.49 g/mol
LogP6.26
Rot. Bonds5

About (1R)-1-benzyl-3-methyl-1-[(E)-3-phenylprop-2-enyl]naphthalen-2-one

(1R)-1-benzyl-3-methyl-1-[(E)-3-phenylprop-2-enyl]naphthalen-2-one (PubChem CID 134957573) has the molecular formula C27H24O and a molecular weight of 364.49 g/mol. Its IUPAC name is (1R)-1-benzyl-3-methyl-1-[(E)-3-phenylprop-2-enyl]naphthalen-2-one.

Molecular Properties

Compound Name(1R)-1-benzyl-3-methyl-1-[(E)-3-phenylprop-2-enyl]naphthalen-2-one
PubChem CID134957573
Molecular FormulaC27H24O
Molecular Weight364.49 g/mol
Exact Mass364.18
IUPAC Name(1R)-1-benzyl-3-methyl-1-[(E)-3-phenylprop-2-enyl]naphthalen-2-one
SMILESCC1=Cc2ccccc2[C@@](C/C=C/c2ccccc2)(Cc2ccccc2)C1=O
InChIInChI=1S/C27H24O/c1-21-19-24-16-8-9-17-25(24)27(26(21)28,20-23-13-6-3-7-14-23)18-10-15-22-11-4-2-5-12-22/h2-17,19H,18,20H2,1H3/b15-10+/t27-/m1/s1
InChIKeyGMIULIQNHFDTDV-UDKPXMKSSA-N
XLogP6.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-benzyl-7-methoxy-3-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-one
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(3S,6S)-6-benzyl-3,6-dimethyl-4-[(1R)-1-phenylethyl]-3-[(E)-3-phenylprop-2-enyl]morpholine-2,5-dione
CID 100924541
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
1,8,10-trihydroxy-10-[(E)-3-phenylprop-2-enyl]anthracen-9-one
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[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
4-iodo-5,5-dimethyl-3-[(E)-3-phenylprop-2-enyl]furan-2-one
CID 45276563
1,3-dimethyl-1-[(E)-pent-3-en-2-yl]naphthalen-2-one
CID 132585018
4-hydroxy-2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]cyclohexa-2,5-dien-1-one
CID 24761040
1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-benzyl-3-methyl-1-[(E)-3-phenylprop-2-enyl]naphthalen-2-one?
The IUPAC name of (1R)-1-benzyl-3-methyl-1-[(E)-3-phenylprop-2-enyl]naphthalen-2-one (CID 134957573) is (1R)-1-benzyl-3-methyl-1-[(E)-3-phenylprop-2-enyl]naphthalen-2-one.
What is the SMILES notation for (1R)-1-benzyl-3-methyl-1-[(E)-3-phenylprop-2-enyl]naphthalen-2-one?
The canonical SMILES for (1R)-1-benzyl-3-methyl-1-[(E)-3-phenylprop-2-enyl]naphthalen-2-one is CC1=Cc2ccccc2[C@@](C/C=C/c2ccccc2)(Cc2ccccc2)C1=O.
What is the InChIKey of (1R)-1-benzyl-3-methyl-1-[(E)-3-phenylprop-2-enyl]naphthalen-2-one?
The InChIKey is GMIULIQNHFDTDV-UDKPXMKSSA-N. The full InChI is InChI=1S/C27H24O/c1-21-19-24-16-8-9-17-25(24)27(26(21)28,20-23-13-6-3-7-14-23)18-10-15-22-11-4-2-5-12-22/h2-17,19H,18,20H2,1H3/b15-10+/t27-/m1/s1.
What are the key properties of (1R)-1-benzyl-3-methyl-1-[(E)-3-phenylprop-2-enyl]naphthalen-2-one?
(1R)-1-benzyl-3-methyl-1-[(E)-3-phenylprop-2-enyl]naphthalen-2-one has a molecular weight of 364.49 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-benzyl-3-methyl-1-[(E)-3-phenylprop-2-enyl]naphthalen-2-one is sourced from PubChem (CID 134957573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).