1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol

C13H20O3 — CID 117322250

IUPAC1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol
SMILESCOCC(OC)c1ccc(CC(C)O)cc1
InChIInChI=1S/C13H20O3/c1-10(14)8-11-4-6-12(7-5-11)13(16-3)9-15-2/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyHUFGNZQUSMTCFC-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.94
Rot. Bonds6

About 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol

1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol (PubChem CID 117322250) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol
PubChem CID117322250
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol
SMILESCOCC(OC)c1ccc(CC(C)O)cc1
InChIInChI=1S/C13H20O3/c1-10(14)8-11-4-6-12(7-5-11)13(16-3)9-15-2/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyHUFGNZQUSMTCFC-UHFFFAOYSA-N
XLogP1.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-[(1S)-1,2-dimethoxyethyl]phenyl]ethanol
CID 124500385
1-[4-(1,2-dimethoxyethyl)phenyl]ethanol
CID 102543604
1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one
CID 117318122
(1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol
CID 124500392
1-[4-(4-methoxybutoxy)phenyl]propan-2-ol
CID 104648035
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
1-[4-(3-methoxybutyl)phenyl]propan-2-ol
CID 117114468
1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene
CID 134395846
4-(3-methoxy-2-methylpropyl)phenol
CID 143413207
1-(2-methoxy-2-phenylethoxy)propan-2-ol
CID 59464511
1-[4-(3-fluoropropoxy)phenyl]propan-2-ol
CID 115495812
4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol
CID 115495833

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol (CID 117322250) is 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol is COCC(OC)c1ccc(CC(C)O)cc1.
What is the InChIKey of 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol?
The InChIKey is HUFGNZQUSMTCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-10(14)8-11-4-6-12(7-5-11)13(16-3)9-15-2/h4-7,10,13-14H,8-9H2,1-3H3.
What are the key properties of 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol?
1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117322250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).