3-(2,2-dimethyloxan-4-yl)phenol

C13H18O2 — CID 155395042

IUPAC3-(2,2-dimethyloxan-4-yl)phenol
SMILESCC1(C)CC(c2cccc(O)c2)CCO1
InChIInChI=1S/C13H18O2/c1-13(2)9-11(6-7-15-13)10-4-3-5-12(14)8-10/h3-5,8,11,14H,6-7,9H2,1-2H3
InChIKeyMTZDSAGBXHBDOL-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.06
Rot. Bonds1

About 3-(2,2-dimethyloxan-4-yl)phenol

3-(2,2-dimethyloxan-4-yl)phenol (PubChem CID 155395042) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(2,2-dimethyloxan-4-yl)phenol.

Molecular Properties

Compound Name3-(2,2-dimethyloxan-4-yl)phenol
PubChem CID155395042
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name3-(2,2-dimethyloxan-4-yl)phenol
SMILESCC1(C)CC(c2cccc(O)c2)CCO1
InChIInChI=1S/C13H18O2/c1-13(2)9-11(6-7-15-13)10-4-3-5-12(14)8-10/h3-5,8,11,14H,6-7,9H2,1-2H3
InChIKeyMTZDSAGBXHBDOL-UHFFFAOYSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexylphenol
CID 16036
3-[3-(methylamino)cyclobutyl]phenol
CID 105437059
2-amino-6-[(4R)-2,2-dimethyloxan-4-yl]-4-(3-hydroxyphenyl)-5-methylpyridine-3-carbonitrile
CID 95191769
3-[4-(4-hydroxyphenyl)cyclohexyl]phenol
CID 167227782
1-benzyl-2-[4-[(4S)-2,2-dimethyloxan-4-yl]phenyl]hydrazine
CID 178069464
benzyl N-[4-[(4S)-2,2-dimethyloxan-4-yl]anilino]carbamate
CID 178069466
6-(2,2-dimethyloxan-4-yl)quinoline-4-carboxylic acid
CID 175960459
3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol
CID 84720458
(4S)-4-(3-hydroxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186127
2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol
CID 70356366
(4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane
CID 67814317
3-pyrrolidin-3-ylphenol
CID 12937992

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyloxan-4-yl)phenol?
The IUPAC name of 3-(2,2-dimethyloxan-4-yl)phenol (CID 155395042) is 3-(2,2-dimethyloxan-4-yl)phenol.
What is the SMILES notation for 3-(2,2-dimethyloxan-4-yl)phenol?
The canonical SMILES for 3-(2,2-dimethyloxan-4-yl)phenol is CC1(C)CC(c2cccc(O)c2)CCO1.
What is the InChIKey of 3-(2,2-dimethyloxan-4-yl)phenol?
The InChIKey is MTZDSAGBXHBDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2)9-11(6-7-15-13)10-4-3-5-12(14)8-10/h3-5,8,11,14H,6-7,9H2,1-2H3.
What are the key properties of 3-(2,2-dimethyloxan-4-yl)phenol?
3-(2,2-dimethyloxan-4-yl)phenol has a molecular weight of 206.29 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyloxan-4-yl)phenol is sourced from PubChem (CID 155395042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).