[(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol

C14H20O4 — CID 24756271

IUPAC[(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol
SMILESCOc1ccc(CO[C@H](C)C[C@H]2O[C@@H]2CO)cc1
InChIInChI=1S/C14H20O4/c1-10(7-13-14(8-15)18-13)17-9-11-3-5-12(16-2)6-4-11/h3-6,10,13-15H,7-9H2,1-2H3/t10-,13-,14-/m1/s1
InChIKeyUCBGFGOLCFPFSD-LERXQTSPSA-N
MW252.31 g/mol
LogP1.75
Rot. Bonds7

About [(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol

[(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol (PubChem CID 24756271) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is [(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol
PubChem CID24756271
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name[(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol
SMILESCOc1ccc(CO[C@H](C)C[C@H]2O[C@@H]2CO)cc1
InChIInChI=1S/C14H20O4/c1-10(7-13-14(8-15)18-13)17-9-11-3-5-12(16-2)6-4-11/h3-6,10,13-15H,7-9H2,1-2H3/t10-,13-,14-/m1/s1
InChIKeyUCBGFGOLCFPFSD-LERXQTSPSA-N
XLogP1.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
(3S)-3-[(2S)-2-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyloxirane
CID 102348878
[(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]methanol
CID 11053700
[(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol
CID 102300419
(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 24938597
(E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol
CID 56926948
2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-4-(4-methoxyphenyl)butan-2-yl]oxyoxane-3,4,5-triol
CID 163023141
N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine
CID 114996272
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol?
The IUPAC name of [(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol (CID 24756271) is [(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol is COc1ccc(CO[C@H](C)C[C@H]2O[C@@H]2CO)cc1.
What is the InChIKey of [(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol?
The InChIKey is UCBGFGOLCFPFSD-LERXQTSPSA-N. The full InChI is InChI=1S/C14H20O4/c1-10(7-13-14(8-15)18-13)17-9-11-3-5-12(16-2)6-4-11/h3-6,10,13-15H,7-9H2,1-2H3/t10-,13-,14-/m1/s1.
What are the key properties of [(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol?
[(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol has a molecular weight of 252.31 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol is sourced from PubChem (CID 24756271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).