4-(oxan-2-yloxy)phenol

C11H14O3 — CID 11745519

IUPAC4-(oxan-2-yloxy)phenol
SMILESOc1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C11H14O3/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11-12H,1-3,8H2
InChIKeyGFBCWCDNXDKFRH-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.30
Rot. Bonds2

About 4-(oxan-2-yloxy)phenol

4-(oxan-2-yloxy)phenol (PubChem CID 11745519) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-(oxan-2-yloxy)phenol.

Molecular Properties

Compound Name4-(oxan-2-yloxy)phenol
PubChem CID11745519
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-(oxan-2-yloxy)phenol
SMILESOc1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C11H14O3/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11-12H,1-3,8H2
InChIKeyGFBCWCDNXDKFRH-UHFFFAOYSA-N
XLogP2.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol
CID 170406702
4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane
CID 90796647
4-(oxan-2-yloxy)benzoic acid
CID 11183645
CID 168763543
CID 168763543
CID 143834486
CID 143834486
[4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid
CID 99738228
2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
2-methoxy-5-(oxan-2-yloxy)phenol
CID 163802207

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-yloxy)phenol?
The IUPAC name of 4-(oxan-2-yloxy)phenol (CID 11745519) is 4-(oxan-2-yloxy)phenol.
What is the SMILES notation for 4-(oxan-2-yloxy)phenol?
The canonical SMILES for 4-(oxan-2-yloxy)phenol is Oc1ccc(OC2CCCCO2)cc1.
What is the InChIKey of 4-(oxan-2-yloxy)phenol?
The InChIKey is GFBCWCDNXDKFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11-12H,1-3,8H2.
What are the key properties of 4-(oxan-2-yloxy)phenol?
4-(oxan-2-yloxy)phenol has a molecular weight of 194.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yloxy)phenol is sourced from PubChem (CID 11745519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).