4-(4-ethylphenyl)oxan-4-ol

C13H18O2 — CID 63222829

IUPAC4-(4-ethylphenyl)oxan-4-ol
SMILESCCc1ccc(C2(O)CCOCC2)cc1
InChIInChI=1S/C13H18O2/c1-2-11-3-5-12(6-4-11)13(14)7-9-15-10-8-13/h3-6,14H,2,7-10H2,1H3
InChIKeyINBGDQBEHCDLFO-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.25
Rot. Bonds2

About 4-(4-ethylphenyl)oxan-4-ol

4-(4-ethylphenyl)oxan-4-ol (PubChem CID 63222829) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-(4-ethylphenyl)oxan-4-ol.

Molecular Properties

Compound Name4-(4-ethylphenyl)oxan-4-ol
PubChem CID63222829
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4-(4-ethylphenyl)oxan-4-ol
SMILESCCc1ccc(C2(O)CCOCC2)cc1
InChIInChI=1S/C13H18O2/c1-2-11-3-5-12(6-4-11)13(14)7-9-15-10-8-13/h3-6,14H,2,7-10H2,1H3
InChIKeyINBGDQBEHCDLFO-UHFFFAOYSA-N
XLogP2.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)oxan-4-ol?
The IUPAC name of 4-(4-ethylphenyl)oxan-4-ol (CID 63222829) is 4-(4-ethylphenyl)oxan-4-ol.
What is the SMILES notation for 4-(4-ethylphenyl)oxan-4-ol?
The canonical SMILES for 4-(4-ethylphenyl)oxan-4-ol is CCc1ccc(C2(O)CCOCC2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)oxan-4-ol?
The InChIKey is INBGDQBEHCDLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-11-3-5-12(6-4-11)13(14)7-9-15-10-8-13/h3-6,14H,2,7-10H2,1H3.
What are the key properties of 4-(4-ethylphenyl)oxan-4-ol?
4-(4-ethylphenyl)oxan-4-ol has a molecular weight of 206.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)oxan-4-ol is sourced from PubChem (CID 63222829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).