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

C13H18O2 — CID 79364790

IUPAC[2-(3,5-dimethylphenyl)oxolan-3-yl]methanol
SMILESCc1cc(C)cc(C2OCCC2CO)c1
InChIInChI=1S/C13H18O2/c1-9-5-10(2)7-12(6-9)13-11(8-14)3-4-15-13/h5-7,11,13-14H,3-4,8H2,1-2H3
InChIKeyKIUDJDWRVHMWEW-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.37
Rot. Bonds2

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

[2-(3,5-dimethylphenyl)oxolan-3-yl]methanol (PubChem CID 79364790) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is [2-(3,5-dimethylphenyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[2-(3,5-dimethylphenyl)oxolan-3-yl]methanol
PubChem CID79364790
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name[2-(3,5-dimethylphenyl)oxolan-3-yl]methanol
SMILESCc1cc(C)cc(C2OCCC2CO)c1
InChIInChI=1S/C13H18O2/c1-9-5-10(2)7-12(6-9)13-11(8-14)3-4-15-13/h5-7,11,13-14H,3-4,8H2,1-2H3
InChIKeyKIUDJDWRVHMWEW-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylphenyl)oxolan-3-yl]methanol?
The IUPAC name of [2-(3,5-dimethylphenyl)oxolan-3-yl]methanol (CID 79364790) is [2-(3,5-dimethylphenyl)oxolan-3-yl]methanol.
What is the SMILES notation for [2-(3,5-dimethylphenyl)oxolan-3-yl]methanol?
The canonical SMILES for [2-(3,5-dimethylphenyl)oxolan-3-yl]methanol is Cc1cc(C)cc(C2OCCC2CO)c1.
What is the InChIKey of [2-(3,5-dimethylphenyl)oxolan-3-yl]methanol?
The InChIKey is KIUDJDWRVHMWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-5-10(2)7-12(6-9)13-11(8-14)3-4-15-13/h5-7,11,13-14H,3-4,8H2,1-2H3.
What are the key properties of [2-(3,5-dimethylphenyl)oxolan-3-yl]methanol?
[2-(3,5-dimethylphenyl)oxolan-3-yl]methanol has a molecular weight of 206.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylphenyl)oxolan-3-yl]methanol is sourced from PubChem (CID 79364790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).