2-ethoxyethanol;phenylmethanol

C11H18O3 — CID 174850859

IUPAC2-ethoxyethanol;phenylmethanol
SMILESCCOCCO.OCc1ccccc1
InChIInChI=1S/C7H8O.C4H10O2/c8-6-7-4-2-1-3-5-7;1-2-6-4-3-5/h1-5,8H,6H2;5H,2-4H2,1H3
InChIKeyCIQCXYHALGBKKL-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.19
Rot. Bonds4

About 2-ethoxyethanol;phenylmethanol

2-ethoxyethanol;phenylmethanol (PubChem CID 174850859) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-ethoxyethanol;phenylmethanol.

Molecular Properties

Compound Name2-ethoxyethanol;phenylmethanol
PubChem CID174850859
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-ethoxyethanol;phenylmethanol
SMILESCCOCCO.OCc1ccccc1
InChIInChI=1S/C7H8O.C4H10O2/c8-6-7-4-2-1-3-5-7;1-2-6-4-3-5/h1-5,8H,6H2;5H,2-4H2,1H3
InChIKeyCIQCXYHALGBKKL-UHFFFAOYSA-N
XLogP1.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

sodium;methanolate;phenylmethanol
CID 70637518
ethanol;phenylmethanol;zirconium
CID 150575485
ethane-1,2-diol;phenylmethanol
CID 69228462
methanol;phenylmethanol
CID 19822462
azane;ethanol;phenylmethanol;hydrate
CID 173440514
phenylmethanol;tungsten
CID 166544439
phenylmethanol;zirconium
CID 18688174
2-ethoxyethanol;silane
CID 173283937
phenylmethanol;hydrate
CID 68812705
2-ethoxyethanol;neodymium
CID 174490221
phenylmethanol;phosphane;trihydrobromide
CID 174749424
azane;phenylmethanol;hydrochloride
CID 173141367

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanol;phenylmethanol?
The IUPAC name of 2-ethoxyethanol;phenylmethanol (CID 174850859) is 2-ethoxyethanol;phenylmethanol.
What is the SMILES notation for 2-ethoxyethanol;phenylmethanol?
The canonical SMILES for 2-ethoxyethanol;phenylmethanol is CCOCCO.OCc1ccccc1.
What is the InChIKey of 2-ethoxyethanol;phenylmethanol?
The InChIKey is CIQCXYHALGBKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C4H10O2/c8-6-7-4-2-1-3-5-7;1-2-6-4-3-5/h1-5,8H,6H2;5H,2-4H2,1H3.
What are the key properties of 2-ethoxyethanol;phenylmethanol?
2-ethoxyethanol;phenylmethanol has a molecular weight of 198.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanol;phenylmethanol is sourced from PubChem (CID 174850859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).