ethane-1,2-diol;methanol;phenoxybenzene

C15H20O4 — CID 174609290

IUPACethane-1,2-diol;methanol;phenoxybenzene
SMILESCO.OCCO.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C2H6O2.CH4O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3-1-2-4;1-2/h1-10H;3-4H,1-2H2;2H,1H3
InChIKeyRNLFZGUNQZSYFC-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.06
Rot. Bonds3

About ethane-1,2-diol;methanol;phenoxybenzene

ethane-1,2-diol;methanol;phenoxybenzene (PubChem CID 174609290) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethane-1,2-diol;methanol;phenoxybenzene.

Molecular Properties

Compound Nameethane-1,2-diol;methanol;phenoxybenzene
PubChem CID174609290
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethane-1,2-diol;methanol;phenoxybenzene
SMILESCO.OCCO.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C2H6O2.CH4O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3-1-2-4;1-2/h1-10H;3-4H,1-2H2;2H,1H3
InChIKeyRNLFZGUNQZSYFC-UHFFFAOYSA-N
XLogP2.06
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;methanol;phenoxybenzene?
The IUPAC name of ethane-1,2-diol;methanol;phenoxybenzene (CID 174609290) is ethane-1,2-diol;methanol;phenoxybenzene.
What is the SMILES notation for ethane-1,2-diol;methanol;phenoxybenzene?
The canonical SMILES for ethane-1,2-diol;methanol;phenoxybenzene is CO.OCCO.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethane-1,2-diol;methanol;phenoxybenzene?
The InChIKey is RNLFZGUNQZSYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C2H6O2.CH4O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3-1-2-4;1-2/h1-10H;3-4H,1-2H2;2H,1H3.
What are the key properties of ethane-1,2-diol;methanol;phenoxybenzene?
ethane-1,2-diol;methanol;phenoxybenzene has a molecular weight of 264.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;methanol;phenoxybenzene is sourced from PubChem (CID 174609290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).