3-[(2-methylphenyl)methoxy]propane-1,2-diol

C11H16O3 — CID 3340577

IUPAC3-[(2-methylphenyl)methoxy]propane-1,2-diol
SMILESCc1ccccc1COCC(O)CO
InChIInChI=1S/C11H16O3/c1-9-4-2-3-5-10(9)7-14-8-11(13)6-12/h2-5,11-13H,6-8H2,1H3
InChIKeyPYDFXJCTDLAHDG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.86
Rot. Bonds5

About 3-[(2-methylphenyl)methoxy]propane-1,2-diol

3-[(2-methylphenyl)methoxy]propane-1,2-diol (PubChem CID 3340577) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2-methylphenyl)methoxy]propane-1,2-diol
PubChem CID3340577
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name3-[(2-methylphenyl)methoxy]propane-1,2-diol
SMILESCc1ccccc1COCC(O)CO
InChIInChI=1S/C11H16O3/c1-9-4-2-3-5-10(9)7-14-8-11(13)6-12/h2-5,11-13H,6-8H2,1H3
InChIKeyPYDFXJCTDLAHDG-UHFFFAOYSA-N
XLogP0.86
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methoxy]propane-1,2-diol?
The IUPAC name of 3-[(2-methylphenyl)methoxy]propane-1,2-diol (CID 3340577) is 3-[(2-methylphenyl)methoxy]propane-1,2-diol.
What is the SMILES notation for 3-[(2-methylphenyl)methoxy]propane-1,2-diol?
The canonical SMILES for 3-[(2-methylphenyl)methoxy]propane-1,2-diol is Cc1ccccc1COCC(O)CO.
What is the InChIKey of 3-[(2-methylphenyl)methoxy]propane-1,2-diol?
The InChIKey is PYDFXJCTDLAHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-9-4-2-3-5-10(9)7-14-8-11(13)6-12/h2-5,11-13H,6-8H2,1H3.
What are the key properties of 3-[(2-methylphenyl)methoxy]propane-1,2-diol?
3-[(2-methylphenyl)methoxy]propane-1,2-diol has a molecular weight of 196.25 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methoxy]propane-1,2-diol is sourced from PubChem (CID 3340577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).