(3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one

C27H26O — CID 101258032

IUPAC(3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one
SMILESCC(C)=C=C(C[C@H](CC(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26O/c1-21(2)18-25(22-12-6-3-7-13-22)19-26(23-14-8-4-9-15-23)20-27(28)24-16-10-5-11-17-24/h3-17,26H,19-20H2,1-2H3/t26-/m1/s1
InChIKeyGGTMJHQHOCQVOX-AREMUKBSSA-N
MW366.50 g/mol
LogP7.08
Rot. Bonds7

About (3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one

(3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one (PubChem CID 101258032) has the molecular formula C27H26O and a molecular weight of 366.50 g/mol. Its IUPAC name is (3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one.

Molecular Properties

Compound Name(3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one
PubChem CID101258032
Molecular FormulaC27H26O
Molecular Weight366.50 g/mol
Exact Mass366.20
IUPAC Name(3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one
SMILESCC(C)=C=C(C[C@H](CC(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26O/c1-21(2)18-25(22-12-6-3-7-13-22)19-26(23-14-8-4-9-15-23)20-27(28)24-16-10-5-11-17-24/h3-17,26H,19-20H2,1-2H3/t26-/m1/s1
InChIKeyGGTMJHQHOCQVOX-AREMUKBSSA-N
XLogP7.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1,3-diphenylpentan-1-one
CID 11042799
14-bromo-1,3-diphenyltetradecan-1-one
CID 135391784
(3S)-1-(4-chlorophenyl)-3-phenylhexane-1,5-dione
CID 46242276
3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione
CID 11290437
5-hydroxy-1,3,5-triphenylpentan-1-one
CID 11727250
[(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate
CID 10318087
(3R)-1,3-diphenylpentane-1,4-dione
CID 90658388
S-(3-oxo-1,3-diphenylpropyl) ethanethioate
CID 46859202
(3S)-1,3-diphenylhex-5-en-1-one
CID 11288162
3-benzhydryl-1-phenylpentane-1,4-dione
CID 15122089
ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate
CID 11695630
S-dodecyl (3S)-5-oxo-3,5-diphenylpentanethioate
CID 11974271

Frequently Asked Questions

What is the IUPAC name of (3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one?
The IUPAC name of (3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one (CID 101258032) is (3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one.
What is the SMILES notation for (3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one?
The canonical SMILES for (3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one is CC(C)=C=C(C[C@H](CC(=O)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one?
The InChIKey is GGTMJHQHOCQVOX-AREMUKBSSA-N. The full InChI is InChI=1S/C27H26O/c1-21(2)18-25(22-12-6-3-7-13-22)19-26(23-14-8-4-9-15-23)20-27(28)24-16-10-5-11-17-24/h3-17,26H,19-20H2,1-2H3/t26-/m1/s1.
What are the key properties of (3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one?
(3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one has a molecular weight of 366.50 g/mol, XLogP of 7.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one is sourced from PubChem (CID 101258032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).