methane;4-methoxy-5-phenylmethoxypentan-2-one

C16H30O3 — CID 159731500

IUPACmethane;4-methoxy-5-phenylmethoxypentan-2-one
SMILESC.C.C.COC(COCc1ccccc1)CC(C)=O
InChIInChI=1S/C13H18O3.3CH4/c1-11(14)8-13(15-2)10-16-9-12-6-4-3-5-7-12;;;/h3-7,13H,8-10H2,1-2H3;3*1H4
InChIKeyNBHFBYNBINRYRL-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.11
Rot. Bonds7

About methane;4-methoxy-5-phenylmethoxypentan-2-one

methane;4-methoxy-5-phenylmethoxypentan-2-one (PubChem CID 159731500) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is methane;4-methoxy-5-phenylmethoxypentan-2-one.

Molecular Properties

Compound Namemethane;4-methoxy-5-phenylmethoxypentan-2-one
PubChem CID159731500
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Namemethane;4-methoxy-5-phenylmethoxypentan-2-one
SMILESC.C.C.COC(COCc1ccccc1)CC(C)=O
InChIInChI=1S/C13H18O3.3CH4/c1-11(14)8-13(15-2)10-16-9-12-6-4-3-5-7-12;;;/h3-7,13H,8-10H2,1-2H3;3*1H4
InChIKeyNBHFBYNBINRYRL-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-oxo-1-phenylmethoxyhexan-3-yl) 3-methoxy-5-phenylpentanoate
CID 58602309
[(2R)-1-bromo-3-phenylmethoxypropan-2-yl] acetate
CID 118705262
tert-butyl 4-methoxy-2,2-dimethyl-5-phenylmethoxypentanoate
CID 172759732
acetic acid;phenylmethoxymethylbenzene
CID 175214238
1,3-bis(phenylmethoxy)propan-2-yl propanoate
CID 172575065
(E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol
CID 135076282
methyl (3S)-3-amino-4-phenylmethoxybutanoate;hydrochloride
CID 67998622
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
[(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate
CID 101029598
[(2R)-1-cyano-3-phenylmethoxypropan-2-yl] acetate
CID 15965802
4-hydroxy-4-phenylmethoxybutan-2-one
CID 130149628

Frequently Asked Questions

What is the IUPAC name of methane;4-methoxy-5-phenylmethoxypentan-2-one?
The IUPAC name of methane;4-methoxy-5-phenylmethoxypentan-2-one (CID 159731500) is methane;4-methoxy-5-phenylmethoxypentan-2-one.
What is the SMILES notation for methane;4-methoxy-5-phenylmethoxypentan-2-one?
The canonical SMILES for methane;4-methoxy-5-phenylmethoxypentan-2-one is C.C.C.COC(COCc1ccccc1)CC(C)=O.
What is the InChIKey of methane;4-methoxy-5-phenylmethoxypentan-2-one?
The InChIKey is NBHFBYNBINRYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3.3CH4/c1-11(14)8-13(15-2)10-16-9-12-6-4-3-5-7-12;;;/h3-7,13H,8-10H2,1-2H3;3*1H4.
What are the key properties of methane;4-methoxy-5-phenylmethoxypentan-2-one?
methane;4-methoxy-5-phenylmethoxypentan-2-one has a molecular weight of 270.41 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methoxy-5-phenylmethoxypentan-2-one is sourced from PubChem (CID 159731500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).