1-[4-(1,2-dimethoxyethyl)phenyl]ethanol

C12H18O3 — CID 102543604

IUPAC1-[4-(1,2-dimethoxyethyl)phenyl]ethanol
SMILESCOCC(OC)c1ccc(C(C)O)cc1
InChIInChI=1S/C12H18O3/c1-9(13)10-4-6-11(7-5-10)12(15-3)8-14-2/h4-7,9,12-13H,8H2,1-3H3
InChIKeyHZBXRAFNPGZPAW-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.07
Rot. Bonds5

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

1-[4-(1,2-dimethoxyethyl)phenyl]ethanol (PubChem CID 102543604) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-[4-(1,2-dimethoxyethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(1,2-dimethoxyethyl)phenyl]ethanol
PubChem CID102543604
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-[4-(1,2-dimethoxyethyl)phenyl]ethanol
SMILESCOCC(OC)c1ccc(C(C)O)cc1
InChIInChI=1S/C12H18O3/c1-9(13)10-4-6-11(7-5-10)12(15-3)8-14-2/h4-7,9,12-13H,8H2,1-3H3
InChIKeyHZBXRAFNPGZPAW-UHFFFAOYSA-N
XLogP2.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.07
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]propan-2-ol
CID 117322250
(1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol
CID 124500392
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one
CID 117318122
1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol
CID 63835748
4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene
CID 6424872
1,2-dimethoxyethylbenzene;(1,2-dimethoxy-2-phenylethyl)benzene;1,2-dimethoxypropane
CID 159991566
1-(2-methoxy-2-phenylethoxy)propan-2-ol
CID 59464511
1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene
CID 57166946
1-[4-(1,2-dimethoxyethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117446147
(1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82951638

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2-dimethoxyethyl)phenyl]ethanol?
The IUPAC name of 1-[4-(1,2-dimethoxyethyl)phenyl]ethanol (CID 102543604) is 1-[4-(1,2-dimethoxyethyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-(1,2-dimethoxyethyl)phenyl]ethanol?
The canonical SMILES for 1-[4-(1,2-dimethoxyethyl)phenyl]ethanol is COCC(OC)c1ccc(C(C)O)cc1.
What is the InChIKey of 1-[4-(1,2-dimethoxyethyl)phenyl]ethanol?
The InChIKey is HZBXRAFNPGZPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-9(13)10-4-6-11(7-5-10)12(15-3)8-14-2/h4-7,9,12-13H,8H2,1-3H3.
What are the key properties of 1-[4-(1,2-dimethoxyethyl)phenyl]ethanol?
1-[4-(1,2-dimethoxyethyl)phenyl]ethanol has a molecular weight of 210.27 g/mol, XLogP of 2.07, 5 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]ethanol is sourced from PubChem (CID 102543604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).