1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol

C16H18ClNO2 — CID 115940525

IUPAC1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Oc2c(C)cc(Cl)cc2C)cn1
InChIInChI=1S/C16H18ClNO2/c1-4-15(19)14-6-5-13(9-18-14)20-16-10(2)7-12(17)8-11(16)3/h5-9,15,19H,4H2,1-3H3
InChIKeyCZRYJRPLKYMOCW-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.59
Rot. Bonds4

About 1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol

1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol (PubChem CID 115940525) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol
PubChem CID115940525
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Oc2c(C)cc(Cl)cc2C)cn1
InChIInChI=1S/C16H18ClNO2/c1-4-15(19)14-6-5-13(9-18-14)20-16-10(2)7-12(17)8-11(16)3/h5-9,15,19H,4H2,1-3H3
InChIKeyCZRYJRPLKYMOCW-UHFFFAOYSA-N
XLogP4.59
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83124719
(1R)-1-[5-(4-fluoro-3-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 103939285
1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 112585568
(1S)-1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939120
1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 107284909
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940584
5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile
CID 115487857
(1R)-1-[5-(3-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939075
(1S)-1-[5-(3-ethoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939228
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 115940517
1-[5-(2-chloro-6-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 107717322
1-(5-naphthalen-1-yloxy-2-pyridinyl)propan-1-ol
CID 115940536

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol (CID 115940525) is 1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(Oc2c(C)cc(Cl)cc2C)cn1.
What is the InChIKey of 1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol?
The InChIKey is CZRYJRPLKYMOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-4-15(19)14-6-5-13(9-18-14)20-16-10(2)7-12(17)8-11(16)3/h5-9,15,19H,4H2,1-3H3.
What are the key properties of 1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol?
1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol has a molecular weight of 291.78 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 115940525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).