[5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol

C15H16ClNO2 — CID 114920713

IUPAC[5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol
SMILESCCCc1ccc(Oc2cc(CO)c(Cl)cn2)cc1
InChIInChI=1S/C15H16ClNO2/c1-2-3-11-4-6-13(7-5-11)19-15-8-12(10-18)14(16)9-17-15/h4-9,18H,2-3,10H2,1H3
InChIKeyRVZZFXKLQWBULZ-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.97
Rot. Bonds5

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

[5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol (PubChem CID 114920713) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is [5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol
PubChem CID114920713
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name[5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol
SMILESCCCc1ccc(Oc2cc(CO)c(Cl)cn2)cc1
InChIInChI=1S/C15H16ClNO2/c1-2-3-11-4-6-13(7-5-11)19-15-8-12(10-18)14(16)9-17-15/h4-9,18H,2-3,10H2,1H3
InChIKeyRVZZFXKLQWBULZ-UHFFFAOYSA-N
XLogP3.97
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol
CID 114920629
(5-chloro-2-quinolin-3-yloxy-4-pyridinyl)methanol
CID 107387669
2,5-dichloro-4-(4-propylphenoxy)pyrimidine
CID 79632471
(5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol
CID 102982999
[5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol
CID 114920569
5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine
CID 114921279
5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine
CID 80879754
1-[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928337
[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-pyridinyl]methanol
CID 114920744
N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928088
1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928111
[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]methanol
CID 114920716

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol (CID 114920713) is [5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol is CCCc1ccc(Oc2cc(CO)c(Cl)cn2)cc1.
What is the InChIKey of [5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol?
The InChIKey is RVZZFXKLQWBULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-2-3-11-4-6-13(7-5-11)19-15-8-12(10-18)14(16)9-17-15/h4-9,18H,2-3,10H2,1H3.
What are the key properties of [5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol?
[5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol has a molecular weight of 277.75 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 114920713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).