2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol

C12H18O4 — CID 69168508

IUPAC2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol
SMILESCOC(COc1ccc(CCO)cc1)OC
InChIInChI=1S/C12H18O4/c1-14-12(15-2)9-16-11-5-3-10(4-6-11)7-8-13/h3-6,12-13H,7-9H2,1-2H3
InChIKeySDNWASSPJGYUHM-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.22
Rot. Bonds7

About 2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol

2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol (PubChem CID 69168508) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol
PubChem CID69168508
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol
SMILESCOC(COc1ccc(CCO)cc1)OC
InChIInChI=1S/C12H18O4/c1-14-12(15-2)9-16-11-5-3-10(4-6-11)7-8-13/h3-6,12-13H,7-9H2,1-2H3
InChIKeySDNWASSPJGYUHM-UHFFFAOYSA-N
XLogP1.22
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(methoxymethoxy)phenyl]ethanol
CID 16638841
(3S)-4-[4-(2-hydroxyethyl)phenoxy]-3-methylbutanamide
CID 123476714
2-[4-[3-(ethylamino)-2-methylpropoxy]phenyl]ethanol
CID 107709363
1-(2,2-dimethoxyethoxy)-4-phenoxybenzene
CID 19424117
3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile
CID 107709808
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
CID 140809859
CID 140809859
1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol
CID 159394766
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
2-(4-trimethylsilyloxyphenyl)ethanol
CID 167738071
2-[4-(2-hydroxyethyl)phenoxy]-1-(2-methoxyphenyl)ethanone
CID 107709230

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol?
The IUPAC name of 2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol (CID 69168508) is 2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol.
What is the SMILES notation for 2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol?
The canonical SMILES for 2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol is COC(COc1ccc(CCO)cc1)OC.
What is the InChIKey of 2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol?
The InChIKey is SDNWASSPJGYUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-14-12(15-2)9-16-11-5-3-10(4-6-11)7-8-13/h3-6,12-13H,7-9H2,1-2H3.
What are the key properties of 2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol?
2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol has a molecular weight of 226.27 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol is sourced from PubChem (CID 69168508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).