(E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one

C22H20O — CID 138969285

IUPAC(E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one
SMILESC[C@H](/C=C/c1ccccc1)CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H20O/c1-17(11-12-18-7-3-2-4-8-18)15-22(23)21-14-13-19-9-5-6-10-20(19)16-21/h2-14,16-17H,15H2,1H3/b12-11+/t17-/m1/s1
InChIKeyBGAYPAIJJJCWSE-FMQWLBJXSA-N
MW300.40 g/mol
LogP5.76
Rot. Bonds5

About (E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one

(E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one (PubChem CID 138969285) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is (E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one.

Molecular Properties

Compound Name(E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one
PubChem CID138969285
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name(E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one
SMILESC[C@H](/C=C/c1ccccc1)CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H20O/c1-17(11-12-18-7-3-2-4-8-18)15-22(23)21-14-13-19-9-5-6-10-20(19)16-21/h2-14,16-17H,15H2,1H3/b12-11+/t17-/m1/s1
InChIKeyBGAYPAIJJJCWSE-FMQWLBJXSA-N
XLogP5.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
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CID 53372806
3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one
CID 116608473
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one
CID 116576897
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 92908632
3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one
CID 116614651
(2E)-2-benzylidene-1-naphthalen-2-ylbutane-1,3-dione
CID 70818111
(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one
CID 70926564
2-(butan-2-ylamino)-1-naphthalen-2-ylethanone
CID 82101621

Frequently Asked Questions

What is the IUPAC name of (E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one?
The IUPAC name of (E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one (CID 138969285) is (E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one.
What is the SMILES notation for (E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one?
The canonical SMILES for (E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one is C[C@H](/C=C/c1ccccc1)CC(=O)c1ccc2ccccc2c1.
What is the InChIKey of (E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one?
The InChIKey is BGAYPAIJJJCWSE-FMQWLBJXSA-N. The full InChI is InChI=1S/C22H20O/c1-17(11-12-18-7-3-2-4-8-18)15-22(23)21-14-13-19-9-5-6-10-20(19)16-21/h2-14,16-17H,15H2,1H3/b12-11+/t17-/m1/s1.
What are the key properties of (E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one?
(E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one has a molecular weight of 300.40 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-3-methyl-1-naphthalen-2-yl-5-phenylpent-4-en-1-one is sourced from PubChem (CID 138969285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).