methyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate

C10H9Cl2FO3 — CID 62214465

IUPACmethyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate
SMILESCOC(=O)C(C)(O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2FO3/c1-10(15,9(14)16-2)5-3-8(13)7(12)4-6(5)11/h3-4,15H,1-2H3
InChIKeyIBYLFQSMCIOZAK-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.51
Rot. Bonds2

About methyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate

methyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate (PubChem CID 62214465) has the molecular formula C10H9Cl2FO3 and a molecular weight of 267.08 g/mol. Its IUPAC name is methyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate
PubChem CID62214465
Molecular FormulaC10H9Cl2FO3
Molecular Weight267.08 g/mol
Exact Mass265.99
IUPAC Namemethyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate
SMILESCOC(=O)C(C)(O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2FO3/c1-10(15,9(14)16-2)5-3-8(13)7(12)4-6(5)11/h3-4,15H,1-2H3
InChIKeyIBYLFQSMCIOZAK-UHFFFAOYSA-N
XLogP2.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichloro-5-fluorophenyl)-3-methylbut-3-en-2-ol
CID 79190116
methyl 2-(cyclopropylmethylamino)-2-(2,4-dichloro-5-fluorophenyl)propanoate
CID 61001613
methyl 2-(2,4-dichloro-5-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate
CID 61001178
1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene
CID 175360558
1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol
CID 63407138
ethyl 3-(2,4-dichloro-5-fluorophenyl)-2-fluoro-3-hydroxybutanoate
CID 79366289
2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62774391
2-(2,4-dichloro-5-fluorophenyl)-2-(propan-2-ylamino)propanoic acid
CID 60928878
ethyl 2-(butan-2-ylamino)-2-(2,4-dichloro-5-fluorophenyl)propanoate
CID 63523954
2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 61056644
2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol
CID 60928779
1,5-dichloro-2-fluoro-4-(trichloromethyl)benzene
CID 13273346

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate?
The IUPAC name of methyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate (CID 62214465) is methyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate.
What is the SMILES notation for methyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate?
The canonical SMILES for methyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate is COC(=O)C(C)(O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of methyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate?
The InChIKey is IBYLFQSMCIOZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2FO3/c1-10(15,9(14)16-2)5-3-8(13)7(12)4-6(5)11/h3-4,15H,1-2H3.
What are the key properties of methyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate?
methyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate has a molecular weight of 267.08 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate is sourced from PubChem (CID 62214465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).