3,5-dichloro-1,7-diphenylheptan-4-one

C19H20Cl2O — CID 56634500

IUPAC3,5-dichloro-1,7-diphenylheptan-4-one
SMILESO=C(C(Cl)CCc1ccccc1)C(Cl)CCc1ccccc1
InChIInChI=1S/C19H20Cl2O/c20-17(13-11-15-7-3-1-4-8-15)19(22)18(21)14-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyMKFZBANYYHZIGG-UHFFFAOYSA-N
MW335.27 g/mol
LogP5.04
Rot. Bonds8

About 3,5-dichloro-1,7-diphenylheptan-4-one

3,5-dichloro-1,7-diphenylheptan-4-one (PubChem CID 56634500) has the molecular formula C19H20Cl2O and a molecular weight of 335.27 g/mol. Its IUPAC name is 3,5-dichloro-1,7-diphenylheptan-4-one.

Molecular Properties

Compound Name3,5-dichloro-1,7-diphenylheptan-4-one
PubChem CID56634500
Molecular FormulaC19H20Cl2O
Molecular Weight335.27 g/mol
Exact Mass334.09
IUPAC Name3,5-dichloro-1,7-diphenylheptan-4-one
SMILESO=C(C(Cl)CCc1ccccc1)C(Cl)CCc1ccccc1
InChIInChI=1S/C19H20Cl2O/c20-17(13-11-15-7-3-1-4-8-15)19(22)18(21)14-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyMKFZBANYYHZIGG-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.27
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N,N-diethyl-4-phenylbutanamide
CID 62880249
2-chloro-4-phenyl-N-propylbutanamide
CID 62879556
[(3R)-3,4-dichlorobutyl]benzene
CID 129394752
2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one
CID 62880416
1,9-bis(benzylsulfonyl)-4,6-dichlorononan-5-one
CID 141070603
3-iodo-5-phenylpentan-1-ol
CID 72737270
2-(2-phenylethyl)propanedioate
CID 21465102
[(1S)-1-chloro-3-phenylpropyl]boronic acid
CID 67683875
2-(2-phenylethyl)propanediamide
CID 66660020
2-methyl-4-phenylbutanoic acid
CID 66896591
methyl 4-methyl-3-oxo-2-(2-phenylethyl)pentanoate
CID 18370896
2-[2-(4-chlorophenyl)ethyl]-4-phenylbutanoic acid
CID 70553032

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1,7-diphenylheptan-4-one?
The IUPAC name of 3,5-dichloro-1,7-diphenylheptan-4-one (CID 56634500) is 3,5-dichloro-1,7-diphenylheptan-4-one.
What is the SMILES notation for 3,5-dichloro-1,7-diphenylheptan-4-one?
The canonical SMILES for 3,5-dichloro-1,7-diphenylheptan-4-one is O=C(C(Cl)CCc1ccccc1)C(Cl)CCc1ccccc1.
What is the InChIKey of 3,5-dichloro-1,7-diphenylheptan-4-one?
The InChIKey is MKFZBANYYHZIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2O/c20-17(13-11-15-7-3-1-4-8-15)19(22)18(21)14-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2.
What are the key properties of 3,5-dichloro-1,7-diphenylheptan-4-one?
3,5-dichloro-1,7-diphenylheptan-4-one has a molecular weight of 335.27 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1,7-diphenylheptan-4-one is sourced from PubChem (CID 56634500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).