2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol

C15H16ClNO2 — CID 105110798

IUPAC2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
SMILESCc1ccncc1C(O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO2/c1-10-6-7-17-9-14(10)15(18)11(2)19-13-5-3-4-12(16)8-13/h3-9,11,15,18H,1-2H3
InChIKeyBFINJPLNRSMUMX-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.54
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol

2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol (PubChem CID 105110798) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
PubChem CID105110798
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
SMILESCc1ccncc1C(O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO2/c1-10-6-7-17-9-14(10)15(18)11(2)19-13-5-3-4-12(16)8-13/h3-9,11,15,18H,1-2H3
InChIKeyBFINJPLNRSMUMX-UHFFFAOYSA-N
XLogP3.54
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol
CID 105103501
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol
CID 105083696
2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one
CID 105113491
2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol
CID 105083853
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 105093982
2-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 66271614
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 105132444
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-ol
CID 105096700
2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine
CID 105094671
4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol
CID 105110444
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine
CID 105118874
1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 106465641

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol?
The IUPAC name of 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol (CID 105110798) is 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol is Cc1ccncc1C(O)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol?
The InChIKey is BFINJPLNRSMUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10-6-7-17-9-14(10)15(18)11(2)19-13-5-3-4-12(16)8-13/h3-9,11,15,18H,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol?
2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol has a molecular weight of 277.75 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 105110798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).