3-methyl-2-(oxan-4-yl)phenol

C12H16O2 — CID 117104365

IUPAC3-methyl-2-(oxan-4-yl)phenol
SMILESCc1cccc(O)c1C1CCOCC1
InChIInChI=1S/C12H16O2/c1-9-3-2-4-11(13)12(9)10-5-7-14-8-6-10/h2-4,10,13H,5-8H2,1H3
InChIKeyJBIGZPMLIYMFJJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.59
Rot. Bonds1

About 3-methyl-2-(oxan-4-yl)phenol

3-methyl-2-(oxan-4-yl)phenol (PubChem CID 117104365) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-methyl-2-(oxan-4-yl)phenol.

Molecular Properties

Compound Name3-methyl-2-(oxan-4-yl)phenol
PubChem CID117104365
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3-methyl-2-(oxan-4-yl)phenol
SMILESCc1cccc(O)c1C1CCOCC1
InChIInChI=1S/C12H16O2/c1-9-3-2-4-11(13)12(9)10-5-7-14-8-6-10/h2-4,10,13H,5-8H2,1H3
InChIKeyJBIGZPMLIYMFJJ-UHFFFAOYSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-(oxan-4-yl)phenol
CID 117104359
2-(oxan-4-yl)-3-(trifluoromethyl)phenol
CID 117104332
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650
2-fluoro-6-(oxan-4-yl)phenol
CID 117104483
2-[3-[[3-(2-hydroxy-6-methylphenyl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]-3-methylphenol
CID 142691432
2-cyclopropyl-3-methylbenzenethiol
CID 174690891
[4-methyl-3-(oxan-4-yl)-2-pyridinyl] hydrogen carbonate
CID 122698511
3-methylbenzene-1,2-diol
CID 135381405
2,6-dimethyl-N-(oxan-4-ylmethyl)aniline
CID 62387138
methyl 3-methyl-4-(oxan-4-yl)benzoate
CID 163758903
4-(4-methylphenyl)oxane
CID 46222621
N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide
CID 112986425

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(oxan-4-yl)phenol?
The IUPAC name of 3-methyl-2-(oxan-4-yl)phenol (CID 117104365) is 3-methyl-2-(oxan-4-yl)phenol.
What is the SMILES notation for 3-methyl-2-(oxan-4-yl)phenol?
The canonical SMILES for 3-methyl-2-(oxan-4-yl)phenol is Cc1cccc(O)c1C1CCOCC1.
What is the InChIKey of 3-methyl-2-(oxan-4-yl)phenol?
The InChIKey is JBIGZPMLIYMFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9-3-2-4-11(13)12(9)10-5-7-14-8-6-10/h2-4,10,13H,5-8H2,1H3.
What are the key properties of 3-methyl-2-(oxan-4-yl)phenol?
3-methyl-2-(oxan-4-yl)phenol has a molecular weight of 192.26 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(oxan-4-yl)phenol is sourced from PubChem (CID 117104365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).