(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol

C16H18O3 — CID 103960501

IUPAC(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Oc1ccccc1OC
InChIInChI=1S/C16H18O3/c1-3-13(17)12-8-4-5-9-14(12)19-16-11-7-6-10-15(16)18-2/h4-11,13,17H,3H2,1-2H3/t13-/m1/s1
InChIKeyUACCGHQGPNOHOI-CYBMUJFWSA-N
MW258.32 g/mol
LogP3.93
Rot. Bonds5

About (1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol

(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol (PubChem CID 103960501) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
PubChem CID103960501
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Oc1ccccc1OC
InChIInChI=1S/C16H18O3/c1-3-13(17)12-8-4-5-9-14(12)19-16-11-7-6-10-15(16)18-2/h4-11,13,17H,3H2,1-2H3/t13-/m1/s1
InChIKeyUACCGHQGPNOHOI-CYBMUJFWSA-N
XLogP3.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol (CID 103960501) is (1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1Oc1ccccc1OC.
What is the InChIKey of (1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol?
The InChIKey is UACCGHQGPNOHOI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18O3/c1-3-13(17)12-8-4-5-9-14(12)19-16-11-7-6-10-15(16)18-2/h4-11,13,17H,3H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol?
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol has a molecular weight of 258.32 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol is sourced from PubChem (CID 103960501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).