(3,5-dimethylphenyl)-(oxolan-2-yl)methanol

C13H18O2 — CID 65331478

IUPAC(3,5-dimethylphenyl)-(oxolan-2-yl)methanol
SMILESCc1cc(C)cc(C(O)C2CCCO2)c1
InChIInChI=1S/C13H18O2/c1-9-6-10(2)8-11(7-9)13(14)12-4-3-5-15-12/h6-8,12-14H,3-5H2,1-2H3
InChIKeyZJNBZTXVIMEKKG-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.52
Rot. Bonds2

About (3,5-dimethylphenyl)-(oxolan-2-yl)methanol

(3,5-dimethylphenyl)-(oxolan-2-yl)methanol (PubChem CID 65331478) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(oxolan-2-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(oxolan-2-yl)methanol
PubChem CID65331478
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(3,5-dimethylphenyl)-(oxolan-2-yl)methanol
SMILESCc1cc(C)cc(C(O)C2CCCO2)c1
InChIInChI=1S/C13H18O2/c1-9-6-10(2)8-11(7-9)13(14)12-4-3-5-15-12/h6-8,12-14H,3-5H2,1-2H3
InChIKeyZJNBZTXVIMEKKG-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol
CID 65296637
(3,5-dimethylphenyl)-(1,4-oxathian-2-yl)methanol
CID 79963902
oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methanol
CID 61086801
(3,5-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 115821693
(4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol
CID 106879508
(3,4-diethylphenyl)-(oxolan-2-yl)methanol
CID 113319177
5-[hydroxy(oxolan-2-yl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172745
(5-methylfuran-2-yl)-(oxolan-2-yl)methanol
CID 123810880
N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759
cycloheptyl-(3,5-dimethylphenyl)methanol
CID 65399155
oxolan-2-yl(thiophen-3-yl)methanol
CID 65331077
1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 79039900

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(oxolan-2-yl)methanol?
The IUPAC name of (3,5-dimethylphenyl)-(oxolan-2-yl)methanol (CID 65331478) is (3,5-dimethylphenyl)-(oxolan-2-yl)methanol.
What is the SMILES notation for (3,5-dimethylphenyl)-(oxolan-2-yl)methanol?
The canonical SMILES for (3,5-dimethylphenyl)-(oxolan-2-yl)methanol is Cc1cc(C)cc(C(O)C2CCCO2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(oxolan-2-yl)methanol?
The InChIKey is ZJNBZTXVIMEKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-6-10(2)8-11(7-9)13(14)12-4-3-5-15-12/h6-8,12-14H,3-5H2,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-(oxolan-2-yl)methanol?
(3,5-dimethylphenyl)-(oxolan-2-yl)methanol has a molecular weight of 206.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(oxolan-2-yl)methanol is sourced from PubChem (CID 65331478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).