2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol

C14H12Cl3NO — CID 54003137

IUPAC2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol
SMILESCc1ncccc1C(O)C(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl3NO/c1-8-10(3-2-6-18-8)14(19)13(17)11-5-4-9(15)7-12(11)16/h2-7,13-14,19H,1H3
InChIKeyKMZYEGWMMZHZDF-UHFFFAOYSA-N
MW316.62 g/mol
LogP4.71
Rot. Bonds3

About 2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol

2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol (PubChem CID 54003137) has the molecular formula C14H12Cl3NO and a molecular weight of 316.62 g/mol. Its IUPAC name is 2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol
PubChem CID54003137
Molecular FormulaC14H12Cl3NO
Molecular Weight316.62 g/mol
Exact Mass315.00
IUPAC Name2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol
SMILESCc1ncccc1C(O)C(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl3NO/c1-8-10(3-2-6-18-8)14(19)13(17)11-5-4-9(15)7-12(11)16/h2-7,13-14,19H,1H3
InChIKeyKMZYEGWMMZHZDF-UHFFFAOYSA-N
XLogP4.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.62
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol
CID 54314992
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
2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene
CID 63443975
(2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol
CID 105097054
(2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101852
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819
(2,4-dichlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 167910776
1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 115604968

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol (CID 54003137) is 2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol is Cc1ncccc1C(O)C(Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol?
The InChIKey is KMZYEGWMMZHZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO/c1-8-10(3-2-6-18-8)14(19)13(17)11-5-4-9(15)7-12(11)16/h2-7,13-14,19H,1H3.
What are the key properties of 2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol?
2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol has a molecular weight of 316.62 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 54003137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).