1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol

C12H18O3 — CID 175219861

IUPAC1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol
SMILESCCOC(O)Cc1cccc(C(C)O)c1
InChIInChI=1S/C12H18O3/c1-3-15-12(14)8-10-5-4-6-11(7-10)9(2)13/h4-7,9,12-14H,3,8H2,1-2H3
InChIKeyMZZBZUFSPZTPSL-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.64
Rot. Bonds5

About 1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol

1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol (PubChem CID 175219861) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol
PubChem CID175219861
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol
SMILESCCOC(O)Cc1cccc(C(C)O)c1
InChIInChI=1S/C12H18O3/c1-3-15-12(14)8-10-5-4-6-11(7-10)9(2)13/h4-7,9,12-14H,3,8H2,1-2H3
InChIKeyMZZBZUFSPZTPSL-UHFFFAOYSA-N
XLogP1.64
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543713
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713426
2-ethoxy-1-(3-ethylphenyl)butan-1-ol
CID 116711098
1,3-bis(2-ethoxypropyl)benzene
CID 71389865
1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708
2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116716569
ethane;1-ethoxy-2-(4-methylphenyl)ethanol
CID 143660250
1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542374
2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116720818
2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544752
(4-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542362

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol?
The IUPAC name of 1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol (CID 175219861) is 1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol.
What is the SMILES notation for 1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol?
The canonical SMILES for 1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol is CCOC(O)Cc1cccc(C(C)O)c1.
What is the InChIKey of 1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol?
The InChIKey is MZZBZUFSPZTPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-15-12(14)8-10-5-4-6-11(7-10)9(2)13/h4-7,9,12-14H,3,8H2,1-2H3.
What are the key properties of 1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol?
1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol has a molecular weight of 210.27 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol is sourced from PubChem (CID 175219861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).