1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene

C29H42O2 — CID 159058422

IUPAC1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
SMILESCC.CC.CC.COCc1ccccc1.O=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H14O.C8H10O.3C2H6/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;1-9-7-8-5-3-2-4-6-8;3*1-2/h1-10H,11-12H2;2-6H,7H2,1H3;3*1-2H3
InChIKeyJYDQPNVGEAHKPU-UHFFFAOYSA-N
MW422.65 g/mol
LogP7.95
Rot. Bonds6

About 1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene

1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene (PubChem CID 159058422) has the molecular formula C29H42O2 and a molecular weight of 422.65 g/mol. Its IUPAC name is 1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene.

Molecular Properties

Compound Name1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
PubChem CID159058422
Molecular FormulaC29H42O2
Molecular Weight422.65 g/mol
Exact Mass422.32
IUPAC Name1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
SMILESCC.CC.CC.COCc1ccccc1.O=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H14O.C8H10O.3C2H6/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;1-9-7-8-5-3-2-4-6-8;3*1-2/h1-10H,11-12H2;2-6H,7H2,1H3;3*1-2H3
InChIKeyJYDQPNVGEAHKPU-UHFFFAOYSA-N
XLogP7.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.65
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 167578330
1,3-diphenyl(213C)propan-2-one
CID 100945080
methoxymethylbenzene;methyl acetate
CID 54330728
ethane;methoxymethylbenzene;propane
CID 144561349
methoxymethylbenzene;vanadium
CID 167445376
methoxymethylbenzene;silane
CID 174277199
1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one
CID 139394409
formaldehyde;methoxymethylbenzene;tungsten
CID 173357343
lithium;hydride;methoxymethylbenzene
CID 174456658
methoxymethylbenzene;2-(methoxymethyl)benzoic acid
CID 175486457
ethane;1-hydroxy-3-phenylpropan-2-one
CID 91537381
hydroperoxymethane;methoxymethylbenzene;propane
CID 91284821

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene?
The IUPAC name of 1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene (CID 159058422) is 1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene.
What is the SMILES notation for 1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene?
The canonical SMILES for 1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene is CC.CC.CC.COCc1ccccc1.O=C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene?
The InChIKey is JYDQPNVGEAHKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.C8H10O.3C2H6/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;1-9-7-8-5-3-2-4-6-8;3*1-2/h1-10H,11-12H2;2-6H,7H2,1H3;3*1-2H3.
What are the key properties of 1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene?
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene has a molecular weight of 422.65 g/mol, XLogP of 7.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene is sourced from PubChem (CID 159058422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).