[2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol

C14H20O3 — CID 79373941

IUPAC[2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol
SMILESCOc1ccc(C2OCCCC2CO)cc1C
InChIInChI=1S/C14H20O3/c1-10-8-11(5-6-13(10)16-2)14-12(9-15)4-3-7-17-14/h5-6,8,12,14-15H,3-4,7,9H2,1-2H3
InChIKeyLJYDDZXBHBUJOA-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.46
Rot. Bonds3

About [2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol

[2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol (PubChem CID 79373941) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is [2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol.

Molecular Properties

Compound Name[2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol
PubChem CID79373941
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name[2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol
SMILESCOc1ccc(C2OCCCC2CO)cc1C
InChIInChI=1S/C14H20O3/c1-10-8-11(5-6-13(10)16-2)14-12(9-15)4-3-7-17-14/h5-6,8,12,14-15H,3-4,7,9H2,1-2H3
InChIKeyLJYDDZXBHBUJOA-UHFFFAOYSA-N
XLogP2.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol?
The IUPAC name of [2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol (CID 79373941) is [2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol.
What is the SMILES notation for [2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol?
The canonical SMILES for [2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol is COc1ccc(C2OCCCC2CO)cc1C.
What is the InChIKey of [2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol?
The InChIKey is LJYDDZXBHBUJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-8-11(5-6-13(10)16-2)14-12(9-15)4-3-7-17-14/h5-6,8,12,14-15H,3-4,7,9H2,1-2H3.
What are the key properties of [2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol?
[2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol is sourced from PubChem (CID 79373941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).