(2S,4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxyoxan-4-ol

C19H22O4 — CID 10663083

IUPAC(2S,4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxyoxan-4-ol
SMILESCOc1ccc([C@@H]2C[C@@H](O)[C@H](OCc3ccccc3)CO2)cc1
InChIInChI=1S/C19H22O4/c1-21-16-9-7-15(8-10-16)18-11-17(20)19(13-23-18)22-12-14-5-3-2-4-6-14/h2-10,17-20H,11-13H2,1H3/t17-,18+,19-/m1/s1
InChIKeyXUMFFRQEDGJFNS-CEXWTWQISA-N
MW314.38 g/mol
LogP3.10
Rot. Bonds5

About (2S,4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxyoxan-4-ol

(2S,4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxyoxan-4-ol (PubChem CID 10663083) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2S,4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxyoxan-4-ol.

Molecular Properties

Compound Name(2S,4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxyoxan-4-ol
PubChem CID10663083
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name(2S,4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxyoxan-4-ol
SMILESCOc1ccc([C@@H]2C[C@@H](O)[C@H](OCc3ccccc3)CO2)cc1
InChIInChI=1S/C19H22O4/c1-21-16-9-7-15(8-10-16)18-11-17(20)19(13-23-18)22-12-14-5-3-2-4-6-14/h2-10,17-20H,11-13H2,1H3/t17-,18+,19-/m1/s1
InChIKeyXUMFFRQEDGJFNS-CEXWTWQISA-N
XLogP3.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
CID 11746679
(3S,4S,6R)-6-(4-methoxyphenyl)oxane-3,4-diol
CID 100945532
(2R,4S,5S)-5-chloro-2-(4-methoxyphenyl)oxan-4-ol
CID 100945534
(1R,3R,5S)-2-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)cyclohexan-1-ol
CID 146033980
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(1R,3S,4R)-2-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)cyclohexan-1-ol
CID 90854427
(1S,2S,3R,4R,5S,6S)-2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11039611
(1R,3S,4R,6R)-5-[(4-methoxyphenyl)methoxy]-2,4,6-tris(phenylmethoxy)cyclohexane-1,3-diol
CID 11071884
(4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxy-4-[2-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethyl]-1,3-dioxane
CID 73054113
(4R,5R)-2-(4-methoxyphenyl)-4-[2-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethyl]-1,3-dioxan-5-ol
CID 73054112
(2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 144531993
2-[(3R,5S)-5-(4-methoxyphenyl)oxolan-3-yl]ethanol
CID 134960360

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxyoxan-4-ol?
The IUPAC name of (2S,4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxyoxan-4-ol (CID 10663083) is (2S,4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxyoxan-4-ol.
What is the SMILES notation for (2S,4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxyoxan-4-ol?
The canonical SMILES for (2S,4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxyoxan-4-ol is COc1ccc([C@@H]2C[C@@H](O)[C@H](OCc3ccccc3)CO2)cc1.
What is the InChIKey of (2S,4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxyoxan-4-ol?
The InChIKey is XUMFFRQEDGJFNS-CEXWTWQISA-N. The full InChI is InChI=1S/C19H22O4/c1-21-16-9-7-15(8-10-16)18-11-17(20)19(13-23-18)22-12-14-5-3-2-4-6-14/h2-10,17-20H,11-13H2,1H3/t17-,18+,19-/m1/s1.
What are the key properties of (2S,4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxyoxan-4-ol?
(2S,4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxyoxan-4-ol has a molecular weight of 314.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxyoxan-4-ol is sourced from PubChem (CID 10663083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).