(2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one

C15H22O3 — CID 101074117

IUPAC(2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one
SMILESCCCC(=O)[C@H](C)COCc1ccc(OC)cc1
InChIInChI=1S/C15H22O3/c1-4-5-15(16)12(2)10-18-11-13-6-8-14(17-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m1/s1
InChIKeyLZOYGBKPVLOJGB-GFCCVEGCSA-N
MW250.34 g/mol
LogP3.22
Rot. Bonds8

About (2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one

(2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one (PubChem CID 101074117) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one.

Molecular Properties

Compound Name(2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one
PubChem CID101074117
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one
SMILESCCCC(=O)[C@H](C)COCc1ccc(OC)cc1
InChIInChI=1S/C15H22O3/c1-4-5-15(16)12(2)10-18-11-13-6-8-14(17-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m1/s1
InChIKeyLZOYGBKPVLOJGB-GFCCVEGCSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
CID 58822506
(3S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenylmethoxybutan-2-one
CID 10860440
(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol
CID 10084181
4-[(4-methoxyphenyl)methoxy]but-2-enyl butanoate
CID 150190226
(5S,6S)-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,6-dimethylheptan-3-one
CID 101412601
5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one
CID 58822522
(2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one
CID 101074120
(E,2S)-4-iodo-1-[(4-methoxyphenyl)methoxy]but-3-en-2-ol
CID 56651391
bis[1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] carbonate
CID 134305238
(4R)-1-[tert-butyl(dimethyl)silyl]-5-[(4-methoxyphenyl)methoxy]-4-methylpent-1-yn-3-one
CID 24787730
(2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide
CID 11141931
2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one
CID 155214623

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one?
The IUPAC name of (2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one (CID 101074117) is (2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one.
What is the SMILES notation for (2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one?
The canonical SMILES for (2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one is CCCC(=O)[C@H](C)COCc1ccc(OC)cc1.
What is the InChIKey of (2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one?
The InChIKey is LZOYGBKPVLOJGB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-5-15(16)12(2)10-18-11-13-6-8-14(17-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one?
(2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one has a molecular weight of 250.34 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one is sourced from PubChem (CID 101074117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).