14-bromo-1,3-diphenyltetradecan-1-one

C26H35BrO — CID 135391784

IUPAC14-bromo-1,3-diphenyltetradecan-1-one
SMILESO=C(CC(CCCCCCCCCCCBr)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H35BrO/c27-21-15-7-5-3-1-2-4-6-10-20-25(23-16-11-8-12-17-23)22-26(28)24-18-13-9-14-19-24/h8-9,11-14,16-19,25H,1-7,10,15,20-22H2
InChIKeyLHDPAKYJKHKJIX-UHFFFAOYSA-N
MW443.47 g/mol
LogP8.34
Rot. Bonds15

About 14-bromo-1,3-diphenyltetradecan-1-one

14-bromo-1,3-diphenyltetradecan-1-one (PubChem CID 135391784) has the molecular formula C26H35BrO and a molecular weight of 443.47 g/mol. Its IUPAC name is 14-bromo-1,3-diphenyltetradecan-1-one.

Molecular Properties

Compound Name14-bromo-1,3-diphenyltetradecan-1-one
PubChem CID135391784
Molecular FormulaC26H35BrO
Molecular Weight443.47 g/mol
Exact Mass442.19
IUPAC Name14-bromo-1,3-diphenyltetradecan-1-one
SMILESO=C(CC(CCCCCCCCCCCBr)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H35BrO/c27-21-15-7-5-3-1-2-4-6-10-20-25(23-16-11-8-12-17-23)22-26(28)24-18-13-9-14-19-24/h8-9,11-14,16-19,25H,1-7,10,15,20-22H2
InChIKeyLHDPAKYJKHKJIX-UHFFFAOYSA-N
XLogP8.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3R)-1,3-diphenylpentan-1-one
CID 11042799
(3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one
CID 101258032
5-hydroxy-1,3,5-triphenylpentan-1-one
CID 11727250
(3S)-1,3-diphenylhex-5-en-1-one
CID 11288162
3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione
CID 11290437
5-bromo-1-phenylpentan-1-ol
CID 121216668
(3S)-7-amino-3-phenylheptanoic acid
CID 70002010
S-dodecyl (3S)-5-oxo-3,5-diphenylpentanethioate
CID 11974271
7-oxo-5,7-diphenylhept-2-enoic acid
CID 71390061
(3R)-3-(4-bromophenyl)-1-phenylpentan-1-one
CID 102486648
[(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate
CID 10318087
(3R)-1,3-diphenylpentane-1,4-dione
CID 90658388

Frequently Asked Questions

What is the IUPAC name of 14-bromo-1,3-diphenyltetradecan-1-one?
The IUPAC name of 14-bromo-1,3-diphenyltetradecan-1-one (CID 135391784) is 14-bromo-1,3-diphenyltetradecan-1-one.
What is the SMILES notation for 14-bromo-1,3-diphenyltetradecan-1-one?
The canonical SMILES for 14-bromo-1,3-diphenyltetradecan-1-one is O=C(CC(CCCCCCCCCCCBr)c1ccccc1)c1ccccc1.
What is the InChIKey of 14-bromo-1,3-diphenyltetradecan-1-one?
The InChIKey is LHDPAKYJKHKJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35BrO/c27-21-15-7-5-3-1-2-4-6-10-20-25(23-16-11-8-12-17-23)22-26(28)24-18-13-9-14-19-24/h8-9,11-14,16-19,25H,1-7,10,15,20-22H2.
What are the key properties of 14-bromo-1,3-diphenyltetradecan-1-one?
14-bromo-1,3-diphenyltetradecan-1-one has a molecular weight of 443.47 g/mol, XLogP of 8.34, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-bromo-1,3-diphenyltetradecan-1-one is sourced from PubChem (CID 135391784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).