4-(3,5-dimethoxyphenyl)-3-methyloxan-4-ol

C14H20O4 — CID 114240676

IUPAC4-(3,5-dimethoxyphenyl)-3-methyloxan-4-ol
SMILESCOc1cc(OC)cc(C2(O)CCOCC2C)c1
InChIInChI=1S/C14H20O4/c1-10-9-18-5-4-14(10,15)11-6-12(16-2)8-13(7-11)17-3/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyMDIXXAPECDYUQX-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.95
Rot. Bonds3

About 4-(3,5-dimethoxyphenyl)-3-methyloxan-4-ol

4-(3,5-dimethoxyphenyl)-3-methyloxan-4-ol (PubChem CID 114240676) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-3-methyloxan-4-ol.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-3-methyloxan-4-ol
PubChem CID114240676
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name4-(3,5-dimethoxyphenyl)-3-methyloxan-4-ol
SMILESCOc1cc(OC)cc(C2(O)CCOCC2C)c1
InChIInChI=1S/C14H20O4/c1-10-9-18-5-4-14(10,15)11-6-12(16-2)8-13(7-11)17-3/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyMDIXXAPECDYUQX-UHFFFAOYSA-N
XLogP1.95
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-3-methyloxan-4-ol?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-3-methyloxan-4-ol (CID 114240676) is 4-(3,5-dimethoxyphenyl)-3-methyloxan-4-ol.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-3-methyloxan-4-ol?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-3-methyloxan-4-ol is COc1cc(OC)cc(C2(O)CCOCC2C)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-3-methyloxan-4-ol?
The InChIKey is MDIXXAPECDYUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-10-9-18-5-4-14(10,15)11-6-12(16-2)8-13(7-11)17-3/h6-8,10,15H,4-5,9H2,1-3H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)-3-methyloxan-4-ol?
4-(3,5-dimethoxyphenyl)-3-methyloxan-4-ol has a molecular weight of 252.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-3-methyloxan-4-ol is sourced from PubChem (CID 114240676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).