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

C10H14O4 — CID 3516

IUPAC3-(2-methoxyphenoxy)propane-1,2-diol
SMILESCOc1ccccc1OCC(O)CO
InChIInChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3
InChIKeyHSRJKNPTNIJEKV-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.43
Rot. Bonds5

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

3-(2-methoxyphenoxy)propane-1,2-diol (PubChem CID 3516) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)propane-1,2-diol
PubChem CID3516
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name3-(2-methoxyphenoxy)propane-1,2-diol
SMILESCOc1ccccc1OCC(O)CO
InChIInChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3
InChIKeyHSRJKNPTNIJEKV-UHFFFAOYSA-N
XLogP0.43
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol
CID 24843324
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
4-methoxy-1-(2-methoxyphenoxy)butan-2-ol
CID 117236738
(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
CID 58551347
potassium;3-hydroxy-2-methoxybenzenesulfonate;3-(2-methoxyphenoxy)propane-1,2-diol
CID 87398434
3-(4-amino-2-methoxyphenoxy)propane-1,2-diol
CID 82842415
(2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol
CID 141307295
3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol
CID 82851067
(2R)-3-(2-propylphenoxy)propane-1,2-diol
CID 139198404
1-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
1-(2-methoxyphenoxy)but-3-en-2-ol
CID 86137299
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 63296623

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)propane-1,2-diol?
The IUPAC name of 3-(2-methoxyphenoxy)propane-1,2-diol (CID 3516) is 3-(2-methoxyphenoxy)propane-1,2-diol.
What is the SMILES notation for 3-(2-methoxyphenoxy)propane-1,2-diol?
The canonical SMILES for 3-(2-methoxyphenoxy)propane-1,2-diol is COc1ccccc1OCC(O)CO.
What is the InChIKey of 3-(2-methoxyphenoxy)propane-1,2-diol?
The InChIKey is HSRJKNPTNIJEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3.
What are the key properties of 3-(2-methoxyphenoxy)propane-1,2-diol?
3-(2-methoxyphenoxy)propane-1,2-diol has a molecular weight of 198.22 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)propane-1,2-diol is sourced from PubChem (CID 3516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).