2-ethoxy-1-(3-propoxyphenyl)ethanol

C13H20O3 — CID 79567661

IUPAC2-ethoxy-1-(3-propoxyphenyl)ethanol
SMILESCCCOc1cccc(C(O)COCC)c1
InChIInChI=1S/C13H20O3/c1-3-8-16-12-7-5-6-11(9-12)13(14)10-15-4-2/h5-7,9,13-14H,3-4,8,10H2,1-2H3
InChIKeyMVGCGXOBTHSCOM-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.55
Rot. Bonds7

About 2-ethoxy-1-(3-propoxyphenyl)ethanol

2-ethoxy-1-(3-propoxyphenyl)ethanol (PubChem CID 79567661) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-ethoxy-1-(3-propoxyphenyl)ethanol.

Molecular Properties

Compound Name2-ethoxy-1-(3-propoxyphenyl)ethanol
PubChem CID79567661
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-ethoxy-1-(3-propoxyphenyl)ethanol
SMILESCCCOc1cccc(C(O)COCC)c1
InChIInChI=1S/C13H20O3/c1-3-8-16-12-7-5-6-11(9-12)13(14)10-15-4-2/h5-7,9,13-14H,3-4,8,10H2,1-2H3
InChIKeyMVGCGXOBTHSCOM-UHFFFAOYSA-N
XLogP2.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-propoxyphenyl)pentan-1-ol
CID 65145757
3,3,4,4,4-pentafluoro-1-(3-propoxyphenyl)butan-1-ol
CID 156764220
1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114521314
1-(3-butoxyphenyl)propan-1-ol
CID 83953800
1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol
CID 110907759
2-cyclopentyl-1-(3-propoxyphenyl)ethanol
CID 65146182
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
CID 106453772
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
2-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 66039535
(2-ethoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894023
1-[3-(difluoromethyl)phenyl]-2-propoxyethanol
CID 115527685

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-propoxyphenyl)ethanol?
The IUPAC name of 2-ethoxy-1-(3-propoxyphenyl)ethanol (CID 79567661) is 2-ethoxy-1-(3-propoxyphenyl)ethanol.
What is the SMILES notation for 2-ethoxy-1-(3-propoxyphenyl)ethanol?
The canonical SMILES for 2-ethoxy-1-(3-propoxyphenyl)ethanol is CCCOc1cccc(C(O)COCC)c1.
What is the InChIKey of 2-ethoxy-1-(3-propoxyphenyl)ethanol?
The InChIKey is MVGCGXOBTHSCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-8-16-12-7-5-6-11(9-12)13(14)10-15-4-2/h5-7,9,13-14H,3-4,8,10H2,1-2H3.
What are the key properties of 2-ethoxy-1-(3-propoxyphenyl)ethanol?
2-ethoxy-1-(3-propoxyphenyl)ethanol has a molecular weight of 224.30 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-propoxyphenyl)ethanol is sourced from PubChem (CID 79567661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).