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

C16H18O4 — CID 3065783

IUPAC3-(3-phenylmethoxyphenoxy)propane-1,2-diol
SMILESOCC(O)COc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H18O4/c17-10-14(18)12-20-16-8-4-7-15(9-16)19-11-13-5-2-1-3-6-13/h1-9,14,17-18H,10-12H2
InChIKeySRPGWEOMGJFGCQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.00
Rot. Bonds7

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

3-(3-phenylmethoxyphenoxy)propane-1,2-diol (PubChem CID 3065783) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(3-phenylmethoxyphenoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(3-phenylmethoxyphenoxy)propane-1,2-diol
PubChem CID3065783
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name3-(3-phenylmethoxyphenoxy)propane-1,2-diol
SMILESOCC(O)COc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H18O4/c17-10-14(18)12-20-16-8-4-7-15(9-16)19-11-13-5-2-1-3-6-13/h1-9,14,17-18H,10-12H2
InChIKeySRPGWEOMGJFGCQ-UHFFFAOYSA-N
XLogP2.00
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylmethoxyphenoxy)propane-1,2-diol?
The IUPAC name of 3-(3-phenylmethoxyphenoxy)propane-1,2-diol (CID 3065783) is 3-(3-phenylmethoxyphenoxy)propane-1,2-diol.
What is the SMILES notation for 3-(3-phenylmethoxyphenoxy)propane-1,2-diol?
The canonical SMILES for 3-(3-phenylmethoxyphenoxy)propane-1,2-diol is OCC(O)COc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 3-(3-phenylmethoxyphenoxy)propane-1,2-diol?
The InChIKey is SRPGWEOMGJFGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c17-10-14(18)12-20-16-8-4-7-15(9-16)19-11-13-5-2-1-3-6-13/h1-9,14,17-18H,10-12H2.
What are the key properties of 3-(3-phenylmethoxyphenoxy)propane-1,2-diol?
3-(3-phenylmethoxyphenoxy)propane-1,2-diol has a molecular weight of 274.32 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylmethoxyphenoxy)propane-1,2-diol is sourced from PubChem (CID 3065783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).