ethoxymethylbenzene;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol

C18H32O5 — CID 174717970

IUPACethoxymethylbenzene;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
SMILESCC(O)COC(C)COC(C)CO.CCOCc1ccccc1
InChIInChI=1S/C9H20O4.C9H12O/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-2-10-8-9-6-4-3-5-7-9/h7-11H,4-6H2,1-3H3;3-7H,2,8H2,1H3
InChIKeyZYBKFLGIXNNLFP-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.39
Rot. Bonds10

About ethoxymethylbenzene;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol

ethoxymethylbenzene;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol (PubChem CID 174717970) has the molecular formula C18H32O5 and a molecular weight of 328.45 g/mol. Its IUPAC name is ethoxymethylbenzene;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol.

Molecular Properties

Compound Nameethoxymethylbenzene;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
PubChem CID174717970
Molecular FormulaC18H32O5
Molecular Weight328.45 g/mol
Exact Mass328.22
IUPAC Nameethoxymethylbenzene;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
SMILESCC(O)COC(C)COC(C)CO.CCOCc1ccccc1
InChIInChI=1S/C9H20O4.C9H12O/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-2-10-8-9-6-4-3-5-7-9/h7-11H,4-6H2,1-3H3;3-7H,2,8H2,1H3
InChIKeyZYBKFLGIXNNLFP-UHFFFAOYSA-N
XLogP2.39
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol
CID 139744930
1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 161457243
1-ethoxy-2-(2-ethoxypropoxy)propane;2-(2-hydroxypropoxy)propan-1-ol
CID 157472623
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(213C)ethoxymethylbenzene
CID 87947851
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid
CID 159288501
benzoic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 67710073
ethoxyethane;ethyl acetate;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 87173315
benzoic acid;2-(2-hydroxypropoxy)propan-1-ol;propane-1,2-diol
CID 174975756
3-ethoxy-2-phenylmethoxypropan-1-ol
CID 154048431

Frequently Asked Questions

What is the IUPAC name of ethoxymethylbenzene;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
The IUPAC name of ethoxymethylbenzene;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol (CID 174717970) is ethoxymethylbenzene;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol.
What is the SMILES notation for ethoxymethylbenzene;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
The canonical SMILES for ethoxymethylbenzene;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol is CC(O)COC(C)COC(C)CO.CCOCc1ccccc1.
What is the InChIKey of ethoxymethylbenzene;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
The InChIKey is ZYBKFLGIXNNLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4.C9H12O/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-2-10-8-9-6-4-3-5-7-9/h7-11H,4-6H2,1-3H3;3-7H,2,8H2,1H3.
What are the key properties of ethoxymethylbenzene;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
ethoxymethylbenzene;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol has a molecular weight of 328.45 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethylbenzene;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol is sourced from PubChem (CID 174717970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).