2-methyl-3-(oxan-3-yloxy)phenol

C12H16O3 — CID 107135241

IUPAC2-methyl-3-(oxan-3-yloxy)phenol
SMILESCc1c(O)cccc1OC1CCCOC1
InChIInChI=1S/C12H16O3/c1-9-11(13)5-2-6-12(9)15-10-4-3-7-14-8-10/h2,5-6,10,13H,3-4,7-8H2,1H3
InChIKeyPZXZVBVPVKGRTC-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.26
Rot. Bonds2

About 2-methyl-3-(oxan-3-yloxy)phenol

2-methyl-3-(oxan-3-yloxy)phenol (PubChem CID 107135241) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methyl-3-(oxan-3-yloxy)phenol.

Molecular Properties

Compound Name2-methyl-3-(oxan-3-yloxy)phenol
PubChem CID107135241
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-methyl-3-(oxan-3-yloxy)phenol
SMILESCc1c(O)cccc1OC1CCCOC1
InChIInChI=1S/C12H16O3/c1-9-11(13)5-2-6-12(9)15-10-4-3-7-14-8-10/h2,5-6,10,13H,3-4,7-8H2,1H3
InChIKeyPZXZVBVPVKGRTC-UHFFFAOYSA-N
XLogP2.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-(oxan-3-yloxy)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-(oxolan-3-yloxy)phenol
CID 63556982
2-amino-3-(oxan-3-yloxy)phenol
CID 107134115
3-naphthalen-1-yloxyoxane
CID 107137916
[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol
CID 84700687
3-(5-fluoro-2-methylphenoxy)oxane
CID 107137933
2-methoxy-3-(oxan-3-yloxy)benzoic acid
CID 115005205
(1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol
CID 107135067
3-[2-(chloromethyl)phenoxy]oxane
CID 107135119
methyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate
CID 66746226
1-[[2-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117374038
1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135051
(1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135084

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxan-3-yloxy)phenol?
The IUPAC name of 2-methyl-3-(oxan-3-yloxy)phenol (CID 107135241) is 2-methyl-3-(oxan-3-yloxy)phenol.
What is the SMILES notation for 2-methyl-3-(oxan-3-yloxy)phenol?
The canonical SMILES for 2-methyl-3-(oxan-3-yloxy)phenol is Cc1c(O)cccc1OC1CCCOC1.
What is the InChIKey of 2-methyl-3-(oxan-3-yloxy)phenol?
The InChIKey is PZXZVBVPVKGRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9-11(13)5-2-6-12(9)15-10-4-3-7-14-8-10/h2,5-6,10,13H,3-4,7-8H2,1H3.
What are the key properties of 2-methyl-3-(oxan-3-yloxy)phenol?
2-methyl-3-(oxan-3-yloxy)phenol has a molecular weight of 208.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxan-3-yloxy)phenol is sourced from PubChem (CID 107135241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).