2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol

C15H15Cl2NO — CID 54314992

IUPAC2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol
SMILESCc1ncccc1C(O)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-9(12-6-5-11(16)8-14(12)17)15(19)13-4-3-7-18-10(13)2/h3-9,15,19H,1-2H3
InChIKeySNNZCGJHZNRSAH-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.53
Rot. Bonds3

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

2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol (PubChem CID 54314992) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol
PubChem CID54314992
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol
SMILESCc1ncccc1C(O)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-9(12-6-5-11(16)8-14(12)17)15(19)13-4-3-7-18-10(13)2/h3-9,15,19H,1-2H3
InChIKeySNNZCGJHZNRSAH-UHFFFAOYSA-N
XLogP4.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 54003137
2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol
CID 54028820
(2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol
CID 166243334
(3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol
CID 105081367
2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid
CID 170823469
2-(3-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 105076776
2-(2,4-dichlorophenyl)pentan-3-ol
CID 79297929
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819
(2,4-dichlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 167910776
1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 107995601
(1S,2R)-1-(2,4-dichlorophenyl)-2-methylbut-3-en-1-ol
CID 15421862
ethane;2-methyl-3-propan-2-ylpyridine
CID 142858508

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol (CID 54314992) is 2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol is Cc1ncccc1C(O)C(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol?
The InChIKey is SNNZCGJHZNRSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-9(12-6-5-11(16)8-14(12)17)15(19)13-4-3-7-18-10(13)2/h3-9,15,19H,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol?
2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol has a molecular weight of 296.20 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 54314992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).