[5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol

C15H16ClNO3 — CID 114920629

IUPAC[5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol
SMILESCOCCc1ccc(Oc2cc(CO)c(Cl)cn2)cc1
InChIInChI=1S/C15H16ClNO3/c1-19-7-6-11-2-4-13(5-3-11)20-15-8-12(10-18)14(16)9-17-15/h2-5,8-9,18H,6-7,10H2,1H3
InChIKeyQLEDHLCJKLXYON-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.21
Rot. Bonds6

About [5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol

[5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol (PubChem CID 114920629) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is [5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol
PubChem CID114920629
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name[5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol
SMILESCOCCc1ccc(Oc2cc(CO)c(Cl)cn2)cc1
InChIInChI=1S/C15H16ClNO3/c1-19-7-6-11-2-4-13(5-3-11)20-15-8-12(10-18)14(16)9-17-15/h2-5,8-9,18H,6-7,10H2,1H3
InChIKeyQLEDHLCJKLXYON-UHFFFAOYSA-N
XLogP3.21
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol
CID 114920713
2-[4-(2-methoxyethyl)phenoxy]-5-methylpyridin-4-amine
CID 83267065
5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine
CID 61373244
[5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol
CID 114920569
4-fluoro-6-[4-(2-methoxyethyl)phenoxy]pyrimidine
CID 113305637
1-[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928337
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde
CID 80631991
(5-chloro-2-quinolin-3-yloxy-4-pyridinyl)methanol
CID 107387669
(1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol
CID 83124503
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbonitrile
CID 43244931
2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
CID 116519425
2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 43352053

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol (CID 114920629) is [5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol is COCCc1ccc(Oc2cc(CO)c(Cl)cn2)cc1.
What is the InChIKey of [5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol?
The InChIKey is QLEDHLCJKLXYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-19-7-6-11-2-4-13(5-3-11)20-15-8-12(10-18)14(16)9-17-15/h2-5,8-9,18H,6-7,10H2,1H3.
What are the key properties of [5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol?
[5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol has a molecular weight of 293.75 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol is sourced from PubChem (CID 114920629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).