(4-ethylphenyl)-(oxan-3-yl)methanol

C14H20O2 — CID 63014910

IUPAC(4-ethylphenyl)-(oxan-3-yl)methanol
SMILESCCc1ccc(C(O)C2CCCOC2)cc1
InChIInChI=1S/C14H20O2/c1-2-11-5-7-12(8-6-11)14(15)13-4-3-9-16-10-13/h5-8,13-15H,2-4,9-10H2,1H3
InChIKeyPIJBPDWRPDLLIL-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.71
Rot. Bonds3

About (4-ethylphenyl)-(oxan-3-yl)methanol

(4-ethylphenyl)-(oxan-3-yl)methanol (PubChem CID 63014910) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (4-ethylphenyl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(4-ethylphenyl)-(oxan-3-yl)methanol
PubChem CID63014910
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(4-ethylphenyl)-(oxan-3-yl)methanol
SMILESCCc1ccc(C(O)C2CCCOC2)cc1
InChIInChI=1S/C14H20O2/c1-2-11-5-7-12(8-6-11)14(15)13-4-3-9-16-10-13/h5-8,13-15H,2-4,9-10H2,1H3
InChIKeyPIJBPDWRPDLLIL-UHFFFAOYSA-N
XLogP2.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-(4-ethylphenyl)methanol
CID 60797623
(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
(4-methylsulfanylphenyl)-(oxan-3-yl)methanol
CID 107136272
oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 63015264
3-[chloro-(4-ethylphenyl)methyl]oxolane
CID 61277504
[3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol
CID 107135606
oxan-3-yl(thiophen-3-yl)methanol
CID 65099967
(3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol
CID 114215750
1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63713345
(4-ethylphenyl)-(3-methylcyclopentyl)methanol
CID 65401353
(3-aminophenyl)-(oxan-3-yl)methanol
CID 107136268
(3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol
CID 79746537

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(oxan-3-yl)methanol?
The IUPAC name of (4-ethylphenyl)-(oxan-3-yl)methanol (CID 63014910) is (4-ethylphenyl)-(oxan-3-yl)methanol.
What is the SMILES notation for (4-ethylphenyl)-(oxan-3-yl)methanol?
The canonical SMILES for (4-ethylphenyl)-(oxan-3-yl)methanol is CCc1ccc(C(O)C2CCCOC2)cc1.
What is the InChIKey of (4-ethylphenyl)-(oxan-3-yl)methanol?
The InChIKey is PIJBPDWRPDLLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-11-5-7-12(8-6-11)14(15)13-4-3-9-16-10-13/h5-8,13-15H,2-4,9-10H2,1H3.
What are the key properties of (4-ethylphenyl)-(oxan-3-yl)methanol?
(4-ethylphenyl)-(oxan-3-yl)methanol has a molecular weight of 220.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(oxan-3-yl)methanol is sourced from PubChem (CID 63014910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).