1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol

C18H22O4 — CID 110907759

IUPAC1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol
SMILESCCCOc1ccccc1OCC(O)c1cccc(OC)c1
InChIInChI=1S/C18H22O4/c1-3-11-21-17-9-4-5-10-18(17)22-13-16(19)14-7-6-8-15(12-14)20-2/h4-10,12,16,19H,3,11,13H2,1-2H3
InChIKeyBHMOYMORHXALBQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.60
Rot. Bonds8

About 1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol

1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol (PubChem CID 110907759) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol
PubChem CID110907759
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol
SMILESCCCOc1ccccc1OCC(O)c1cccc(OC)c1
InChIInChI=1S/C18H22O4/c1-3-11-21-17-9-4-5-10-18(17)22-13-16(19)14-7-6-8-15(12-14)20-2/h4-10,12,16,19H,3,11,13H2,1-2H3
InChIKeyBHMOYMORHXALBQ-UHFFFAOYSA-N
XLogP3.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134038
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
2-ethoxy-1-(3-propoxyphenyl)ethanol
CID 79567661
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-(3-methoxyphenyl)ethanol
CID 103175339
(2-methoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894602
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
2-(3,5-difluorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 62783956
2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 112725152
2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol
CID 10263644
3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid
CID 81134733
3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol
CID 117242661
1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
CID 112588838

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol (CID 110907759) is 1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol is CCCOc1ccccc1OCC(O)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol?
The InChIKey is BHMOYMORHXALBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-3-11-21-17-9-4-5-10-18(17)22-13-16(19)14-7-6-8-15(12-14)20-2/h4-10,12,16,19H,3,11,13H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol?
1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol has a molecular weight of 302.37 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol is sourced from PubChem (CID 110907759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).