2-(4-methylphenoxy)oxan-3-ol

C12H16O3 — CID 22982055

IUPAC2-(4-methylphenoxy)oxan-3-ol
SMILESCc1ccc(OC2OCCCC2O)cc1
InChIInChI=1S/C12H16O3/c1-9-4-6-10(7-5-9)15-12-11(13)3-2-8-14-12/h4-7,11-13H,2-3,8H2,1H3
InChIKeyLKSNLRKVQNIJQS-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.87
Rot. Bonds2

About 2-(4-methylphenoxy)oxan-3-ol

2-(4-methylphenoxy)oxan-3-ol (PubChem CID 22982055) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-methylphenoxy)oxan-3-ol.

Molecular Properties

Compound Name2-(4-methylphenoxy)oxan-3-ol
PubChem CID22982055
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(4-methylphenoxy)oxan-3-ol
SMILESCc1ccc(OC2OCCCC2O)cc1
InChIInChI=1S/C12H16O3/c1-9-4-6-10(7-5-9)15-12-11(13)3-2-8-14-12/h4-7,11-13H,2-3,8H2,1H3
InChIKeyLKSNLRKVQNIJQS-UHFFFAOYSA-N
XLogP1.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)oxan-3-ol?
The IUPAC name of 2-(4-methylphenoxy)oxan-3-ol (CID 22982055) is 2-(4-methylphenoxy)oxan-3-ol.
What is the SMILES notation for 2-(4-methylphenoxy)oxan-3-ol?
The canonical SMILES for 2-(4-methylphenoxy)oxan-3-ol is Cc1ccc(OC2OCCCC2O)cc1.
What is the InChIKey of 2-(4-methylphenoxy)oxan-3-ol?
The InChIKey is LKSNLRKVQNIJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9-4-6-10(7-5-9)15-12-11(13)3-2-8-14-12/h4-7,11-13H,2-3,8H2,1H3.
What are the key properties of 2-(4-methylphenoxy)oxan-3-ol?
2-(4-methylphenoxy)oxan-3-ol has a molecular weight of 208.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)oxan-3-ol is sourced from PubChem (CID 22982055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).