1-(2-phenylmethoxyethoxy)ethanol

C11H16O3 — CID 121292346

IUPAC1-(2-phenylmethoxyethoxy)ethanol
SMILESCC(O)OCCOCc1ccccc1
InChIInChI=1S/C11H16O3/c1-10(12)14-8-7-13-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyZNYYIDGDMVPXFX-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.56
Rot. Bonds6

About 1-(2-phenylmethoxyethoxy)ethanol

1-(2-phenylmethoxyethoxy)ethanol (PubChem CID 121292346) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(2-phenylmethoxyethoxy)ethanol.

Molecular Properties

Compound Name1-(2-phenylmethoxyethoxy)ethanol
PubChem CID121292346
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-(2-phenylmethoxyethoxy)ethanol
SMILESCC(O)OCCOCc1ccccc1
InChIInChI=1S/C11H16O3/c1-10(12)14-8-7-13-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyZNYYIDGDMVPXFX-UHFFFAOYSA-N
XLogP1.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
CID 11322322
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
3,3-dimethyl-2-(2-phenylmethoxyethoxy)butanoic acid
CID 67216614
2-(difluoromethoxy)ethoxymethylbenzene
CID 155234334
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
(4R)-1-phenylmethoxyhexane-3,4-diol
CID 165032455
4-(2-phenylmethoxyethoxy)pentyl carbamate
CID 175093685
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
1-phenylmethoxyethanol;propane-1,2,3-triol
CID 157415371
2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene
CID 165127781
1-phenyl-4-phenylmethoxybutan-1-ol
CID 101407523
4-hydroxy-3-methyl-7-phenylmethoxyheptan-2-one
CID 18338993

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylmethoxyethoxy)ethanol?
The IUPAC name of 1-(2-phenylmethoxyethoxy)ethanol (CID 121292346) is 1-(2-phenylmethoxyethoxy)ethanol.
What is the SMILES notation for 1-(2-phenylmethoxyethoxy)ethanol?
The canonical SMILES for 1-(2-phenylmethoxyethoxy)ethanol is CC(O)OCCOCc1ccccc1.
What is the InChIKey of 1-(2-phenylmethoxyethoxy)ethanol?
The InChIKey is ZNYYIDGDMVPXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-10(12)14-8-7-13-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3.
What are the key properties of 1-(2-phenylmethoxyethoxy)ethanol?
1-(2-phenylmethoxyethoxy)ethanol has a molecular weight of 196.25 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmethoxyethoxy)ethanol is sourced from PubChem (CID 121292346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).