methyl 3-[(4-chlorophenyl)methoxy]-2-hydroxy-2-methylpropanoate

C12H15ClO4 — CID 65127216

IUPACmethyl 3-[(4-chlorophenyl)methoxy]-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)COCc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO4/c1-12(15,11(14)16-2)8-17-7-9-3-5-10(13)6-4-9/h3-6,15H,7-8H2,1-2H3
InChIKeyJUEOHFUISPZKRD-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.78
Rot. Bonds5

About methyl 3-[(4-chlorophenyl)methoxy]-2-hydroxy-2-methylpropanoate

methyl 3-[(4-chlorophenyl)methoxy]-2-hydroxy-2-methylpropanoate (PubChem CID 65127216) has the molecular formula C12H15ClO4 and a molecular weight of 258.70 g/mol. Its IUPAC name is methyl 3-[(4-chlorophenyl)methoxy]-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(4-chlorophenyl)methoxy]-2-hydroxy-2-methylpropanoate
PubChem CID65127216
Molecular FormulaC12H15ClO4
Molecular Weight258.70 g/mol
Exact Mass258.07
IUPAC Namemethyl 3-[(4-chlorophenyl)methoxy]-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)COCc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO4/c1-12(15,11(14)16-2)8-17-7-9-3-5-10(13)6-4-9/h3-6,15H,7-8H2,1-2H3
InChIKeyJUEOHFUISPZKRD-UHFFFAOYSA-N
XLogP1.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-chlorophenyl)methoxy]-2,2-dimethylpropanoate
CID 79622106
1-[(3-bromo-2,2-dimethylpropoxy)methyl]-4-chlorobenzene
CID 65124513
methyl 2-chloro-2-(4-chlorophenyl)propanoate
CID 19781425
dimethyl 2-[(4-chlorophenoxy)methyl]-2-methylpropanedioate
CID 66921686
methyl 3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoate
CID 104643931
methyl 3-[(4-chlorophenyl)methylsulfonyl]-2,2-dimethylpropanoate
CID 114790044
(2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid
CID 130693679
methyl (2S)-2-bromo-2-(4-chlorophenyl)propanoate
CID 97034672
methyl 3-[(4-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)propanoate
CID 114791697
methyl 3-(2-bromo-5-chloroanilino)-2-hydroxy-2-methylpropanoate
CID 104644795
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423685
1-chloro-3-[(4-chlorophenyl)methoxy]propan-2-one
CID 170561692

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-chlorophenyl)methoxy]-2-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 3-[(4-chlorophenyl)methoxy]-2-hydroxy-2-methylpropanoate (CID 65127216) is methyl 3-[(4-chlorophenyl)methoxy]-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(4-chlorophenyl)methoxy]-2-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 3-[(4-chlorophenyl)methoxy]-2-hydroxy-2-methylpropanoate is COC(=O)C(C)(O)COCc1ccc(Cl)cc1.
What is the InChIKey of methyl 3-[(4-chlorophenyl)methoxy]-2-hydroxy-2-methylpropanoate?
The InChIKey is JUEOHFUISPZKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO4/c1-12(15,11(14)16-2)8-17-7-9-3-5-10(13)6-4-9/h3-6,15H,7-8H2,1-2H3.
What are the key properties of methyl 3-[(4-chlorophenyl)methoxy]-2-hydroxy-2-methylpropanoate?
methyl 3-[(4-chlorophenyl)methoxy]-2-hydroxy-2-methylpropanoate has a molecular weight of 258.70 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-chlorophenyl)methoxy]-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 65127216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).