[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol

C13H18O3 — CID 54595110

IUPAC[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
SMILESCc1ccc(OCC2CCOC2)c(CO)c1
InChIInChI=1S/C13H18O3/c1-10-2-3-13(12(6-10)7-14)16-9-11-4-5-15-8-11/h2-3,6,11,14H,4-5,7-9H2,1H3
InChIKeyARMPBKCXEDXYII-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.90
Rot. Bonds4

About [5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol

[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol (PubChem CID 54595110) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is [5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
PubChem CID54595110
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
SMILESCc1ccc(OCC2CCOC2)c(CO)c1
InChIInChI=1S/C13H18O3/c1-10-2-3-13(12(6-10)7-14)16-9-11-4-5-15-8-11/h2-3,6,11,14H,4-5,7-9H2,1H3
InChIKeyARMPBKCXEDXYII-UHFFFAOYSA-N
XLogP1.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclopentylmethoxy)-5-methylphenyl]methanol
CID 63325672
5-methyl-2-(oxolan-3-ylmethoxy)benzoic acid
CID 61379905
3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
CID 64853732
N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine
CID 55204163
potassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide
CID 63676225
(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 78947172
1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 63325810
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63325624
[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol
CID 107690615
[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol
CID 79552519
N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 63639940
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931616

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol?
The IUPAC name of [5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol (CID 54595110) is [5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol?
The canonical SMILES for [5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol is Cc1ccc(OCC2CCOC2)c(CO)c1.
What is the InChIKey of [5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol?
The InChIKey is ARMPBKCXEDXYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-10-2-3-13(12(6-10)7-14)16-9-11-4-5-15-8-11/h2-3,6,11,14H,4-5,7-9H2,1H3.
What are the key properties of [5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol?
[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol has a molecular weight of 222.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 54595110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).