5-methoxy-6-phenyloxan-2-ol

C12H16O3 — CID 153365018

IUPAC5-methoxy-6-phenyloxan-2-ol
SMILESCOC1CCC(O)OC1c1ccccc1
InChIInChI=1S/C12H16O3/c1-14-10-7-8-11(13)15-12(10)9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3
InChIKeyDZUHQFLTYSGLMW-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.87
Rot. Bonds2

About 5-methoxy-6-phenyloxan-2-ol

5-methoxy-6-phenyloxan-2-ol (PubChem CID 153365018) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-methoxy-6-phenyloxan-2-ol.

Molecular Properties

Compound Name5-methoxy-6-phenyloxan-2-ol
PubChem CID153365018
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name5-methoxy-6-phenyloxan-2-ol
SMILESCOC1CCC(O)OC1c1ccccc1
InChIInChI=1S/C12H16O3/c1-14-10-7-8-11(13)15-12(10)9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3
InChIKeyDZUHQFLTYSGLMW-UHFFFAOYSA-N
XLogP1.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol
CID 130920611
(1R,5S,6S,8S)-6,8,9-trimethoxy-3-phenyl-2,4-dioxabicyclo[3.3.1]nonan-7-ol
CID 10804871
[(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol
CID 156513644
(2R,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol
CID 101454315
2-phenyl-1,3-dioxolan-4-ol
CID 23288237
(2R,5S)-5-(2-phenylethyl)oxolan-2-ol
CID 86339415
5-methylidene-6-phenyloxan-2-ol
CID 10535678
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
methyl (3R)-3-hydroxy-3-[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-phenyloxolan-2-yl]propanoate
CID 102307844
(2R)-2-methyl-3-phenyloxirane
CID 12040001
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol
CID 14666183

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-phenyloxan-2-ol?
The IUPAC name of 5-methoxy-6-phenyloxan-2-ol (CID 153365018) is 5-methoxy-6-phenyloxan-2-ol.
What is the SMILES notation for 5-methoxy-6-phenyloxan-2-ol?
The canonical SMILES for 5-methoxy-6-phenyloxan-2-ol is COC1CCC(O)OC1c1ccccc1.
What is the InChIKey of 5-methoxy-6-phenyloxan-2-ol?
The InChIKey is DZUHQFLTYSGLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-14-10-7-8-11(13)15-12(10)9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3.
What are the key properties of 5-methoxy-6-phenyloxan-2-ol?
5-methoxy-6-phenyloxan-2-ol has a molecular weight of 208.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-phenyloxan-2-ol is sourced from PubChem (CID 153365018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).