2-methoxy-4-(3-methylphenyl)oxan-4-ol

C13H18O3 — CID 10609061

IUPAC2-methoxy-4-(3-methylphenyl)oxan-4-ol
SMILESCOC1CC(O)(c2cccc(C)c2)CCO1
InChIInChI=1S/C13H18O3/c1-10-4-3-5-11(8-10)13(14)6-7-16-12(9-13)15-2/h3-5,8,12,14H,6-7,9H2,1-2H3
InChIKeyGGNIIRRMPIDLOF-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.97
Rot. Bonds2

About 2-methoxy-4-(3-methylphenyl)oxan-4-ol

2-methoxy-4-(3-methylphenyl)oxan-4-ol (PubChem CID 10609061) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-methoxy-4-(3-methylphenyl)oxan-4-ol.

Molecular Properties

Compound Name2-methoxy-4-(3-methylphenyl)oxan-4-ol
PubChem CID10609061
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-methoxy-4-(3-methylphenyl)oxan-4-ol
SMILESCOC1CC(O)(c2cccc(C)c2)CCO1
InChIInChI=1S/C13H18O3/c1-10-4-3-5-11(8-10)13(14)6-7-16-12(9-13)15-2/h3-5,8,12,14H,6-7,9H2,1-2H3
InChIKeyGGNIIRRMPIDLOF-UHFFFAOYSA-N
XLogP1.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenyl)oxolan-3-ol
CID 63331929
4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol
CID 125470767
2-methyl-4-(3-methylphenyl)piperidin-4-ol
CID 83819923
1-(3-methylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449876
1-(3-methylphenyl)-4-propylcyclohexan-1-ol
CID 60794525
2-methyl-1-(3-methylphenyl)cyclopropan-1-ol
CID 79332542
2-ethyl-4-(3-iodophenyl)oxan-4-ol
CID 67623996
3-(3-methylphenyl)-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171965040
3-(3-methylphenyl)thian-3-ol
CID 83688253
(1S,2S,5S)-5-(3-methylphenyl)bicyclo[3.1.0]hexan-2-ol
CID 129364913
1-ethyl-4-(3-methylphenyl)piperidin-4-ol
CID 60894273
4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol
CID 65085535

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(3-methylphenyl)oxan-4-ol?
The IUPAC name of 2-methoxy-4-(3-methylphenyl)oxan-4-ol (CID 10609061) is 2-methoxy-4-(3-methylphenyl)oxan-4-ol.
What is the SMILES notation for 2-methoxy-4-(3-methylphenyl)oxan-4-ol?
The canonical SMILES for 2-methoxy-4-(3-methylphenyl)oxan-4-ol is COC1CC(O)(c2cccc(C)c2)CCO1.
What is the InChIKey of 2-methoxy-4-(3-methylphenyl)oxan-4-ol?
The InChIKey is GGNIIRRMPIDLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-10-4-3-5-11(8-10)13(14)6-7-16-12(9-13)15-2/h3-5,8,12,14H,6-7,9H2,1-2H3.
What are the key properties of 2-methoxy-4-(3-methylphenyl)oxan-4-ol?
2-methoxy-4-(3-methylphenyl)oxan-4-ol has a molecular weight of 222.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3-methylphenyl)oxan-4-ol is sourced from PubChem (CID 10609061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).