ethane-1,2-diol;ethoxyethane;phenoxybenzene;propane-1,2-diol

C21H34O6 — CID 68791308

IUPACethane-1,2-diol;ethoxyethane;phenoxybenzene;propane-1,2-diol
SMILESCC(O)CO.CCOCC.OCCO.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C4H10O.C3H8O2.C2H6O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-5-4-2;1-3(5)2-4;3-1-2-4/h1-10H;3-4H2,1-2H3;3-5H,2H2,1H3;3-4H,1-2H2
InChIKeyLOWJQKRNBFUCKQ-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.85
Rot. Bonds6

About ethane-1,2-diol;ethoxyethane;phenoxybenzene;propane-1,2-diol

ethane-1,2-diol;ethoxyethane;phenoxybenzene;propane-1,2-diol (PubChem CID 68791308) has the molecular formula C21H34O6 and a molecular weight of 382.50 g/mol. Its IUPAC name is ethane-1,2-diol;ethoxyethane;phenoxybenzene;propane-1,2-diol.

Molecular Properties

Compound Nameethane-1,2-diol;ethoxyethane;phenoxybenzene;propane-1,2-diol
PubChem CID68791308
Molecular FormulaC21H34O6
Molecular Weight382.50 g/mol
Exact Mass382.24
IUPAC Nameethane-1,2-diol;ethoxyethane;phenoxybenzene;propane-1,2-diol
SMILESCC(O)CO.CCOCC.OCCO.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C4H10O.C3H8O2.C2H6O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-5-4-2;1-3(5)2-4;3-1-2-4/h1-10H;3-4H2,1-2H3;3-5H,2H2,1H3;3-4H,1-2H2
InChIKeyLOWJQKRNBFUCKQ-UHFFFAOYSA-N
XLogP2.85
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethoxyethane;phenoxybenzene;propane-1,2-diol?
The IUPAC name of ethane-1,2-diol;ethoxyethane;phenoxybenzene;propane-1,2-diol (CID 68791308) is ethane-1,2-diol;ethoxyethane;phenoxybenzene;propane-1,2-diol.
What is the SMILES notation for ethane-1,2-diol;ethoxyethane;phenoxybenzene;propane-1,2-diol?
The canonical SMILES for ethane-1,2-diol;ethoxyethane;phenoxybenzene;propane-1,2-diol is CC(O)CO.CCOCC.OCCO.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethane-1,2-diol;ethoxyethane;phenoxybenzene;propane-1,2-diol?
The InChIKey is LOWJQKRNBFUCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C4H10O.C3H8O2.C2H6O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-5-4-2;1-3(5)2-4;3-1-2-4/h1-10H;3-4H2,1-2H3;3-5H,2H2,1H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;ethoxyethane;phenoxybenzene;propane-1,2-diol?
ethane-1,2-diol;ethoxyethane;phenoxybenzene;propane-1,2-diol has a molecular weight of 382.50 g/mol, XLogP of 2.85, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethoxyethane;phenoxybenzene;propane-1,2-diol is sourced from PubChem (CID 68791308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).