ethoxymethylbenzene;oxiran-2-ylmethanol

C12H18O3 — CID 174298824

IUPACethoxymethylbenzene;oxiran-2-ylmethanol
SMILESCCOCc1ccccc1.OCC1CO1
InChIInChI=1S/C9H12O.C3H6O2/c1-2-10-8-9-6-4-3-5-7-9;4-1-3-2-5-3/h3-7H,2,8H2,1H3;3-4H,1-2H2
InChIKeyBODQRMORWZGZJN-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.60
Rot. Bonds4

About ethoxymethylbenzene;oxiran-2-ylmethanol

ethoxymethylbenzene;oxiran-2-ylmethanol (PubChem CID 174298824) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is ethoxymethylbenzene;oxiran-2-ylmethanol.

Molecular Properties

Compound Nameethoxymethylbenzene;oxiran-2-ylmethanol
PubChem CID174298824
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Nameethoxymethylbenzene;oxiran-2-ylmethanol
SMILESCCOCc1ccccc1.OCC1CO1
InChIInChI=1S/C9H12O.C3H6O2/c1-2-10-8-9-6-4-3-5-7-9;4-1-3-2-5-3/h3-7H,2,8H2,1H3;3-4H,1-2H2
InChIKeyBODQRMORWZGZJN-UHFFFAOYSA-N
XLogP1.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

oxiran-2-ylmethanol;phenylmethoxymethylbenzene
CID 87861777
(213C)ethoxymethylbenzene
CID 87947851
tris(2-ethyloxirane);tris(oxiran-2-ylmethanol);phenol
CID 159100623
2-(chloromethyl)oxirane;phenylmethanol;2-(phenylmethoxymethyl)oxirane
CID 163898082
sodium;tris(2-ethyloxirane);hydride;molecular hydrogen;tris(oxiran-2-ylmethanol);phenol
CID 158495864
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
[4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol
CID 171373496
1-[4-(ethoxymethyl)phenyl]-2-(oxiran-2-yl)ethanol
CID 87930399
2-[[2-(ethoxymethyl)phenyl]methyl]oxirane
CID 151772121
dimethyl-(oxiran-2-ylmethoxy)-phenylsilane;oxiran-2-ylmethanol
CID 161439221
ethoxymethylbenzene;propylbenzene
CID 174975433
(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
CID 24764148

Frequently Asked Questions

What is the IUPAC name of ethoxymethylbenzene;oxiran-2-ylmethanol?
The IUPAC name of ethoxymethylbenzene;oxiran-2-ylmethanol (CID 174298824) is ethoxymethylbenzene;oxiran-2-ylmethanol.
What is the SMILES notation for ethoxymethylbenzene;oxiran-2-ylmethanol?
The canonical SMILES for ethoxymethylbenzene;oxiran-2-ylmethanol is CCOCc1ccccc1.OCC1CO1.
What is the InChIKey of ethoxymethylbenzene;oxiran-2-ylmethanol?
The InChIKey is BODQRMORWZGZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C3H6O2/c1-2-10-8-9-6-4-3-5-7-9;4-1-3-2-5-3/h3-7H,2,8H2,1H3;3-4H,1-2H2.
What are the key properties of ethoxymethylbenzene;oxiran-2-ylmethanol?
ethoxymethylbenzene;oxiran-2-ylmethanol has a molecular weight of 210.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethylbenzene;oxiran-2-ylmethanol is sourced from PubChem (CID 174298824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).