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

C13H18O3 — CID 82718193

IUPAC3-(4-methoxy-2-methylphenyl)-2-methyloxolan-3-ol
SMILESCOc1ccc(C2(O)CCOC2C)c(C)c1
InChIInChI=1S/C13H18O3/c1-9-8-11(15-3)4-5-12(9)13(14)6-7-16-10(13)2/h4-5,8,10,14H,6-7H2,1-3H3
InChIKeyBFZKPPLYAWWEFL-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.00
Rot. Bonds2

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

3-(4-methoxy-2-methylphenyl)-2-methyloxolan-3-ol (PubChem CID 82718193) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)-2-methyloxolan-3-ol
PubChem CID82718193
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3-(4-methoxy-2-methylphenyl)-2-methyloxolan-3-ol
SMILESCOc1ccc(C2(O)CCOC2C)c(C)c1
InChIInChI=1S/C13H18O3/c1-9-8-11(15-3)4-5-12(9)13(14)6-7-16-10(13)2/h4-5,8,10,14H,6-7H2,1-3H3
InChIKeyBFZKPPLYAWWEFL-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)-2-methyloxolan-3-ol?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)-2-methyloxolan-3-ol (CID 82718193) is 3-(4-methoxy-2-methylphenyl)-2-methyloxolan-3-ol.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)-2-methyloxolan-3-ol?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)-2-methyloxolan-3-ol is COc1ccc(C2(O)CCOC2C)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-2-methyloxolan-3-ol?
The InChIKey is BFZKPPLYAWWEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9-8-11(15-3)4-5-12(9)13(14)6-7-16-10(13)2/h4-5,8,10,14H,6-7H2,1-3H3.
What are the key properties of 3-(4-methoxy-2-methylphenyl)-2-methyloxolan-3-ol?
3-(4-methoxy-2-methylphenyl)-2-methyloxolan-3-ol has a molecular weight of 222.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylphenyl)-2-methyloxolan-3-ol is sourced from PubChem (CID 82718193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).