(2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol

C13H18O4 — CID 10037202

IUPAC(2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol
SMILESCOc1ccc(CO[C@@H]2OCCC[C@H]2O)cc1
InChIInChI=1S/C13H18O4/c1-15-11-6-4-10(5-7-11)9-17-13-12(14)3-2-8-16-13/h4-7,12-14H,2-3,8-9H2,1H3/t12-,13+/m1/s1
InChIKeyYGJWGISIFAGWTD-OLZOCXBDSA-N
MW238.28 g/mol
LogP1.71
Rot. Bonds4

About (2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol

(2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol (PubChem CID 10037202) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is (2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol
PubChem CID10037202
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol
SMILESCOc1ccc(CO[C@@H]2OCCC[C@H]2O)cc1
InChIInChI=1S/C13H18O4/c1-15-11-6-4-10(5-7-11)9-17-13-12(14)3-2-8-16-13/h4-7,12-14H,2-3,8-9H2,1H3/t12-,13+/m1/s1
InChIKeyYGJWGISIFAGWTD-OLZOCXBDSA-N
XLogP1.71
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methoxy]oxolane
CID 10899818
trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol
CID 16720719
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
CID 11842161
(2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane
CID 100966838
2-(4-methylphenoxy)oxan-3-ol
CID 22982055
2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol
CID 66058016
1-[[2-(4-methoxyphenyl)acetyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 40666280
(2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol
CID 102237778
(1S,2S,3R,4R,5S,6S)-2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11039611
(2R,3R)-2-methoxy-3-phenylmethoxyoxane
CID 139918795
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol?
The IUPAC name of (2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol (CID 10037202) is (2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol.
What is the SMILES notation for (2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol?
The canonical SMILES for (2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol is COc1ccc(CO[C@@H]2OCCC[C@H]2O)cc1.
What is the InChIKey of (2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol?
The InChIKey is YGJWGISIFAGWTD-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H18O4/c1-15-11-6-4-10(5-7-11)9-17-13-12(14)3-2-8-16-13/h4-7,12-14H,2-3,8-9H2,1H3/t12-,13+/m1/s1.
What are the key properties of (2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol?
(2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol has a molecular weight of 238.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol is sourced from PubChem (CID 10037202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).