(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane

C13H18O2 — CID 97170620

IUPAC(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
SMILESCc1ccc(C)c(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C13H18O2/c1-10-5-6-11(2)13(8-10)15-9-12-4-3-7-14-12/h5-6,8,12H,3-4,7,9H2,1-2H3/t12-/m0/s1
InChIKeyRUHWEHBFGWVPBH-LBPRGKRZSA-N
MW206.29 g/mol
LogP2.86
Rot. Bonds3

About (2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane

(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane (PubChem CID 97170620) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is (2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane.

Molecular Properties

Compound Name(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
PubChem CID97170620
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
SMILESCc1ccc(C)c(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C13H18O2/c1-10-5-6-11(2)13(8-10)15-9-12-4-3-7-14-12/h5-6,8,12H,3-4,7,9H2,1-2H3/t12-/m0/s1
InChIKeyRUHWEHBFGWVPBH-LBPRGKRZSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 78947367
potassium trifluoro-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63676205
N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 62308507
5-methyl-2-(oxolan-2-ylmethoxy)benzenesulfinic acid
CID 165449244
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
5-methyl-2-(oxan-2-ylmethoxy)benzoic acid
CID 55025159
3-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 94621924
(E)-3-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 55200916
5-methyl-2-(oxan-2-ylmethoxy)benzenesulfonyl chloride
CID 43591843
2-[(2,4,5-trichlorophenoxy)methyl]oxolane
CID 112779327
2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119339664

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane?
The IUPAC name of (2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane (CID 97170620) is (2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane.
What is the SMILES notation for (2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane?
The canonical SMILES for (2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane is Cc1ccc(C)c(OC[C@@H]2CCCO2)c1.
What is the InChIKey of (2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane?
The InChIKey is RUHWEHBFGWVPBH-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-5-6-11(2)13(8-10)15-9-12-4-3-7-14-12/h5-6,8,12H,3-4,7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane?
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane has a molecular weight of 206.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane is sourced from PubChem (CID 97170620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).