(1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol

C14H15NO3 — CID 114056411

IUPAC(1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol
SMILESCOc1cccc(Oc2ncccc2[C@H](C)O)c1
InChIInChI=1S/C14H15NO3/c1-10(16)13-7-4-8-15-14(13)18-12-6-3-5-11(9-12)17-2/h3-10,16H,1-2H3/t10-/m0/s1
InChIKeyYTJQGAMDKVXZQM-JTQLQIEISA-N
MW245.28 g/mol
LogP2.94
Rot. Bonds4

About (1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol

(1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol (PubChem CID 114056411) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol
PubChem CID114056411
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol
SMILESCOc1cccc(Oc2ncccc2[C@H](C)O)c1
InChIInChI=1S/C14H15NO3/c1-10(16)13-7-4-8-15-14(13)18-12-6-3-5-11(9-12)17-2/h3-10,16H,1-2H3/t10-/m0/s1
InChIKeyYTJQGAMDKVXZQM-JTQLQIEISA-N
XLogP2.94
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol (CID 114056411) is (1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol is COc1cccc(Oc2ncccc2[C@H](C)O)c1.
What is the InChIKey of (1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol?
The InChIKey is YTJQGAMDKVXZQM-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15NO3/c1-10(16)13-7-4-8-15-14(13)18-12-6-3-5-11(9-12)17-2/h3-10,16H,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol?
(1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol has a molecular weight of 245.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol is sourced from PubChem (CID 114056411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).