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

C19H22O4 — CID 11255470

IUPAC(3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one
SMILESCOc1ccc(CO[C@H](COCc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C19H22O4/c1-15(20)19(14-22-12-16-6-4-3-5-7-16)23-13-17-8-10-18(21-2)11-9-17/h3-11,19H,12-14H2,1-2H3/t19-/m1/s1
InChIKeyFQIMMFSIXKURFJ-LJQANCHMSA-N
MW314.38 g/mol
LogP3.39
Rot. Bonds9

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

(3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one (PubChem CID 11255470) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is (3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one.

Molecular Properties

Compound Name(3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one
PubChem CID11255470
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name(3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one
SMILESCOc1ccc(CO[C@H](COCc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C19H22O4/c1-15(20)19(14-22-12-16-6-4-3-5-7-16)23-13-17-8-10-18(21-2)11-9-17/h3-11,19H,12-14H2,1-2H3/t19-/m1/s1
InChIKeyFQIMMFSIXKURFJ-LJQANCHMSA-N
XLogP3.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
(3S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenylmethoxybutan-2-one
CID 10860440
(3S)-3-phenylmethoxy-4-(4-phenylmethoxyphenyl)butan-2-one
CID 46185770
(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol
CID 10690012
(3R)-5-methyl-3-phenylmethoxyhexan-2-one
CID 11042263
(2R)-2-[(1S)-2-[(4-methoxyphenyl)methoxy]-1-phenylmethoxyethyl]oxirane
CID 140633194
1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene
CID 10506341
(2R)-3-[(4-methoxyphenyl)methoxy]-2-phenylpropan-1-ol
CID 101173435
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
tert-butyl (3R,5S)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-6-phenylmethoxyhexanoate
CID 141144688
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
(2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6977010

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one?
The IUPAC name of (3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one (CID 11255470) is (3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one.
What is the SMILES notation for (3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one?
The canonical SMILES for (3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one is COc1ccc(CO[C@H](COCc2ccccc2)C(C)=O)cc1.
What is the InChIKey of (3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one?
The InChIKey is FQIMMFSIXKURFJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22O4/c1-15(20)19(14-22-12-16-6-4-3-5-7-16)23-13-17-8-10-18(21-2)11-9-17/h3-11,19H,12-14H2,1-2H3/t19-/m1/s1.
What are the key properties of (3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one?
(3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one has a molecular weight of 314.38 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one is sourced from PubChem (CID 11255470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).