4-[(4-ethylphenoxy)methyl]oxan-4-ol

C14H20O3 — CID 126703265

IUPAC4-[(4-ethylphenoxy)methyl]oxan-4-ol
SMILESCCc1ccc(OCC2(O)CCOCC2)cc1
InChIInChI=1S/C14H20O3/c1-2-12-3-5-13(6-4-12)17-11-14(15)7-9-16-10-8-14/h3-6,15H,2,7-11H2,1H3
InChIKeyMHOSGOPNTKZPRC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.17
Rot. Bonds4

About 4-[(4-ethylphenoxy)methyl]oxan-4-ol

4-[(4-ethylphenoxy)methyl]oxan-4-ol (PubChem CID 126703265) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[(4-ethylphenoxy)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(4-ethylphenoxy)methyl]oxan-4-ol
PubChem CID126703265
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-[(4-ethylphenoxy)methyl]oxan-4-ol
SMILESCCc1ccc(OCC2(O)CCOCC2)cc1
InChIInChI=1S/C14H20O3/c1-2-12-3-5-13(6-4-12)17-11-14(15)7-9-16-10-8-14/h3-6,15H,2,7-11H2,1H3
InChIKeyMHOSGOPNTKZPRC-UHFFFAOYSA-N
XLogP2.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-aminophenoxy)methyl]oxan-4-ol
CID 123445715
4-[(3-bromo-4-methylphenoxy)methyl]oxan-4-ol
CID 167959882
4-(4-ethylphenyl)oxan-4-ol
CID 63222829
3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100739
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one
CID 167822885
dimethyl 5-[(4-hydroxyoxan-4-yl)methoxy]benzene-1,3-dicarboxylate
CID 167836282
2-(3-ethylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79037319
4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81130776
4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
CID 65145878
4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 111106413
1-[[1-(bromomethyl)cyclohexyl]methoxy]-4-ethylbenzene
CID 65002392

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenoxy)methyl]oxan-4-ol?
The IUPAC name of 4-[(4-ethylphenoxy)methyl]oxan-4-ol (CID 126703265) is 4-[(4-ethylphenoxy)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(4-ethylphenoxy)methyl]oxan-4-ol?
The canonical SMILES for 4-[(4-ethylphenoxy)methyl]oxan-4-ol is CCc1ccc(OCC2(O)CCOCC2)cc1.
What is the InChIKey of 4-[(4-ethylphenoxy)methyl]oxan-4-ol?
The InChIKey is MHOSGOPNTKZPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-2-12-3-5-13(6-4-12)17-11-14(15)7-9-16-10-8-14/h3-6,15H,2,7-11H2,1H3.
What are the key properties of 4-[(4-ethylphenoxy)methyl]oxan-4-ol?
4-[(4-ethylphenoxy)methyl]oxan-4-ol has a molecular weight of 236.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenoxy)methyl]oxan-4-ol is sourced from PubChem (CID 126703265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).