(2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol

C16H24O4 — CID 15450471

IUPAC(2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol
SMILESCOCc1cccc(C[C@@H](CO)OC2CCCCO2)c1
InChIInChI=1S/C16H24O4/c1-18-12-14-6-4-5-13(9-14)10-15(11-17)20-16-7-2-3-8-19-16/h4-6,9,15-17H,2-3,7-8,10-12H2,1H3/t15-,16?/m0/s1
InChIKeyITUOYKGMKWSRNC-VYRBHSGPSA-N
MW280.36 g/mol
LogP2.28
Rot. Bonds7

About (2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol

(2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol (PubChem CID 15450471) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is (2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol.

Molecular Properties

Compound Name(2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol
PubChem CID15450471
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name(2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol
SMILESCOCc1cccc(C[C@@H](CO)OC2CCCCO2)c1
InChIInChI=1S/C16H24O4/c1-18-12-14-6-4-5-13(9-14)10-15(11-17)20-16-7-2-3-8-19-16/h4-6,9,15-17H,2-3,7-8,10-12H2,1H3/t15-,16?/m0/s1
InChIKeyITUOYKGMKWSRNC-VYRBHSGPSA-N
XLogP2.28
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide
CID 139705725
2-[4-[3-(methoxymethyl)phenyl]-2-methylbut-3-yn-2-yl]oxyoxane
CID 167135359
2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane
CID 173259383
methyl 2-[[(2R)-2-(oxan-2-yloxy)-3-phenylpropyl]-[(1R)-1-phenylethyl]amino]acetate
CID 68826511
methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate
CID 10022408
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
methyl (2S)-2-(oxan-2-yloxy)-3-phenylpropanoate
CID 14804719
(5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol
CID 10590934
2-[1-[2-[3-(methoxymethyl)phenyl]ethynyl]cyclopentyl]oxyoxane
CID 167134913
benzyl 6-methyl-3-(oxan-2-yloxy)heptanoate
CID 10568752
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
3-methyl-2-(oxan-2-yloxy)-4-phenylbutanenitrile
CID 102467228

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol?
The IUPAC name of (2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol (CID 15450471) is (2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol.
What is the SMILES notation for (2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol?
The canonical SMILES for (2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol is COCc1cccc(C[C@@H](CO)OC2CCCCO2)c1.
What is the InChIKey of (2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol?
The InChIKey is ITUOYKGMKWSRNC-VYRBHSGPSA-N. The full InChI is InChI=1S/C16H24O4/c1-18-12-14-6-4-5-13(9-14)10-15(11-17)20-16-7-2-3-8-19-16/h4-6,9,15-17H,2-3,7-8,10-12H2,1H3/t15-,16?/m0/s1.
What are the key properties of (2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol?
(2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol has a molecular weight of 280.36 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol is sourced from PubChem (CID 15450471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).