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

C18H22O3 — CID 104658498

IUPAC1-(3-methoxyphenyl)-1-(2-propoxyphenyl)ethanol
SMILESCCCOc1ccccc1C(C)(O)c1cccc(OC)c1
InChIInChI=1S/C18H22O3/c1-4-12-21-17-11-6-5-10-16(17)18(2,19)14-8-7-9-15(13-14)20-3/h5-11,13,19H,4,12H2,1-3H3
InChIKeyCTTJARGQRAZWAJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.74
Rot. Bonds6

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

1-(3-methoxyphenyl)-1-(2-propoxyphenyl)ethanol (PubChem CID 104658498) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-1-(2-propoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-1-(2-propoxyphenyl)ethanol
PubChem CID104658498
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-(3-methoxyphenyl)-1-(2-propoxyphenyl)ethanol
SMILESCCCOc1ccccc1C(C)(O)c1cccc(OC)c1
InChIInChI=1S/C18H22O3/c1-4-12-21-17-11-6-5-10-16(17)18(2,19)14-8-7-9-15(13-14)20-3/h5-11,13,19H,4,12H2,1-3H3
InChIKeyCTTJARGQRAZWAJ-UHFFFAOYSA-N
XLogP3.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-1-(2-propoxyphenyl)ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-1-(2-propoxyphenyl)ethanol (CID 104658498) is 1-(3-methoxyphenyl)-1-(2-propoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-1-(2-propoxyphenyl)ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-1-(2-propoxyphenyl)ethanol is CCCOc1ccccc1C(C)(O)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-1-(2-propoxyphenyl)ethanol?
The InChIKey is CTTJARGQRAZWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-4-12-21-17-11-6-5-10-16(17)18(2,19)14-8-7-9-15(13-14)20-3/h5-11,13,19H,4,12H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-1-(2-propoxyphenyl)ethanol?
1-(3-methoxyphenyl)-1-(2-propoxyphenyl)ethanol has a molecular weight of 286.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-1-(2-propoxyphenyl)ethanol is sourced from PubChem (CID 104658498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).