3-[2-(oxan-4-yl)ethoxy]phenol

C13H18O3 — CID 59526880

IUPAC3-[2-(oxan-4-yl)ethoxy]phenol
SMILESOc1cccc(OCCC2CCOCC2)c1
InChIInChI=1S/C13H18O3/c14-12-2-1-3-13(10-12)16-9-6-11-4-7-15-8-5-11/h1-3,10-11,14H,4-9H2
InChIKeyMPJGVYCNDHABLO-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.59
Rot. Bonds4

About 3-[2-(oxan-4-yl)ethoxy]phenol

3-[2-(oxan-4-yl)ethoxy]phenol (PubChem CID 59526880) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-[2-(oxan-4-yl)ethoxy]phenol.

Molecular Properties

Compound Name3-[2-(oxan-4-yl)ethoxy]phenol
PubChem CID59526880
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3-[2-(oxan-4-yl)ethoxy]phenol
SMILESOc1cccc(OCCC2CCOCC2)c1
InChIInChI=1S/C13H18O3/c14-12-2-1-3-13(10-12)16-9-6-11-4-7-15-8-5-11/h1-3,10-11,14H,4-9H2
InChIKeyMPJGVYCNDHABLO-UHFFFAOYSA-N
XLogP2.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1,1-dioxothietan-3-yl)ethoxy]phenol
CID 84703325
N-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine
CID 91844313
3-[2-(3-bromophenoxy)ethyl]oxan-4-ol
CID 106471299
4-[3-(3,4-dimethylphenoxy)propyl]oxane
CID 165029250
2-[3-(oxan-4-yl)phenoxy]ethanol
CID 115033332
1-[(E)-3-[3-[2-(oxan-4-yl)ethoxy]phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 170564757
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
3-(3-methoxy-3-methylbutoxy)phenol
CID 59527181
4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride
CID 56830247
3-(2-cyclopentyl-2-hydroxyethoxy)phenol
CID 117245767
3-[3-(oxan-4-yloxy)propoxy]benzoic acid
CID 63073125
[1-[[3-[2-(oxolan-3-yl)ethoxy]phenyl]methyl]piperidin-3-yl]methanol
CID 171911651

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-4-yl)ethoxy]phenol?
The IUPAC name of 3-[2-(oxan-4-yl)ethoxy]phenol (CID 59526880) is 3-[2-(oxan-4-yl)ethoxy]phenol.
What is the SMILES notation for 3-[2-(oxan-4-yl)ethoxy]phenol?
The canonical SMILES for 3-[2-(oxan-4-yl)ethoxy]phenol is Oc1cccc(OCCC2CCOCC2)c1.
What is the InChIKey of 3-[2-(oxan-4-yl)ethoxy]phenol?
The InChIKey is MPJGVYCNDHABLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c14-12-2-1-3-13(10-12)16-9-6-11-4-7-15-8-5-11/h1-3,10-11,14H,4-9H2.
What are the key properties of 3-[2-(oxan-4-yl)ethoxy]phenol?
3-[2-(oxan-4-yl)ethoxy]phenol has a molecular weight of 222.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-4-yl)ethoxy]phenol is sourced from PubChem (CID 59526880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).