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

C14H20O2 — CID 79372718

IUPAC[2-(3,5-dimethylphenyl)oxan-3-yl]methanol
SMILESCc1cc(C)cc(C2OCCCC2CO)c1
InChIInChI=1S/C14H20O2/c1-10-6-11(2)8-13(7-10)14-12(9-15)4-3-5-16-14/h6-8,12,14-15H,3-5,9H2,1-2H3
InChIKeyHFDLQCDNRNJFQL-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.76
Rot. Bonds2

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

[2-(3,5-dimethylphenyl)oxan-3-yl]methanol (PubChem CID 79372718) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is [2-(3,5-dimethylphenyl)oxan-3-yl]methanol.

Molecular Properties

Compound Name[2-(3,5-dimethylphenyl)oxan-3-yl]methanol
PubChem CID79372718
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name[2-(3,5-dimethylphenyl)oxan-3-yl]methanol
SMILESCc1cc(C)cc(C2OCCCC2CO)c1
InChIInChI=1S/C14H20O2/c1-10-6-11(2)8-13(7-10)14-12(9-15)4-3-5-16-14/h6-8,12,14-15H,3-5,9H2,1-2H3
InChIKeyHFDLQCDNRNJFQL-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.76
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)oxan-3-yl]methanol?
The IUPAC name of [2-(3,5-dimethylphenyl)oxan-3-yl]methanol (CID 79372718) is [2-(3,5-dimethylphenyl)oxan-3-yl]methanol.
What is the SMILES notation for [2-(3,5-dimethylphenyl)oxan-3-yl]methanol?
The canonical SMILES for [2-(3,5-dimethylphenyl)oxan-3-yl]methanol is Cc1cc(C)cc(C2OCCCC2CO)c1.
What is the InChIKey of [2-(3,5-dimethylphenyl)oxan-3-yl]methanol?
The InChIKey is HFDLQCDNRNJFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10-6-11(2)8-13(7-10)14-12(9-15)4-3-5-16-14/h6-8,12,14-15H,3-5,9H2,1-2H3.
What are the key properties of [2-(3,5-dimethylphenyl)oxan-3-yl]methanol?
[2-(3,5-dimethylphenyl)oxan-3-yl]methanol has a molecular weight of 220.31 g/mol, XLogP of 2.76, 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)oxan-3-yl]methanol is sourced from PubChem (CID 79372718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).