3-(2-methylphenoxy)propane-1,2-diol

C10H14O3 — CID 4059

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IUPAC3-(2-methylphenoxy)propane-1,2-diol
SMILESCc1ccccc1OCC(O)CO
InChIInChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3
InChIKeyJWDYCNIAQWPBHD-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.73
Rot. Bonds4

About 3-(2-methylphenoxy)propane-1,2-diol

3-(2-methylphenoxy)propane-1,2-diol (PubChem CID 4059) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(2-methylphenoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-methylphenoxy)propane-1,2-diol
PubChem CID4059
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3-(2-methylphenoxy)propane-1,2-diol
SMILESCc1ccccc1OCC(O)CO
InChIInChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3
InChIKeyJWDYCNIAQWPBHD-UHFFFAOYSA-N
XLogP0.73
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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o-CRESYL GLYCIDYL ETHER
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenoxy)propane-1,2-diol?
The IUPAC name of 3-(2-methylphenoxy)propane-1,2-diol (CID 4059) is 3-(2-methylphenoxy)propane-1,2-diol.
What is the SMILES notation for 3-(2-methylphenoxy)propane-1,2-diol?
The canonical SMILES for 3-(2-methylphenoxy)propane-1,2-diol is Cc1ccccc1OCC(O)CO.
What is the InChIKey of 3-(2-methylphenoxy)propane-1,2-diol?
The InChIKey is JWDYCNIAQWPBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3.
What are the key properties of 3-(2-methylphenoxy)propane-1,2-diol?
3-(2-methylphenoxy)propane-1,2-diol has a molecular weight of 182.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenoxy)propane-1,2-diol is sourced from PubChem (CID 4059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).