ethyl 2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]propanoate

C19H22O4 — CID 54001053

IUPACethyl 2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]propanoate
SMILESCCOC(=O)C(C)(O)c1ccc(OCc2ccccc2C)cc1
InChIInChI=1S/C19H22O4/c1-4-22-18(20)19(3,21)16-9-11-17(12-10-16)23-13-15-8-6-5-7-14(15)2/h5-12,21H,4,13H2,1-3H3
InChIKeyKLQILVVKCPWEIE-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.34
Rot. Bonds6

About ethyl 2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]propanoate

ethyl 2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]propanoate (PubChem CID 54001053) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]propanoate
PubChem CID54001053
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Nameethyl 2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]propanoate
SMILESCCOC(=O)C(C)(O)c1ccc(OCc2ccccc2C)cc1
InChIInChI=1S/C19H22O4/c1-4-22-18(20)19(3,21)16-9-11-17(12-10-16)23-13-15-8-6-5-7-14(15)2/h5-12,21H,4,13H2,1-3H3
InChIKeyKLQILVVKCPWEIE-UHFFFAOYSA-N
XLogP3.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylphenyl)methoxy]benzohydrazide
CID 17349910
4,4-dimethyl-1-[4-[(2-methylphenyl)methoxy]phenyl]pentan-3-one
CID 82184863
N-[4-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 7642527
ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoate
CID 15953694
4-[(2-methylphenyl)methoxy]benzenesulfonamide
CID 43164522
(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
CID 131871320
ethyl 2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 79482945
ethyl 3-(4-ethoxyphenyl)-3-hydroxybutanoate
CID 55071355
2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 16775885
ethyl 2-(3,5-ditert-butylphenyl)-2-hydroxypropanoate
CID 143309553
ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate
CID 115128855
ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate
CID 154100490

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]propanoate?
The IUPAC name of ethyl 2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]propanoate (CID 54001053) is ethyl 2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]propanoate?
The canonical SMILES for ethyl 2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]propanoate is CCOC(=O)C(C)(O)c1ccc(OCc2ccccc2C)cc1.
What is the InChIKey of ethyl 2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]propanoate?
The InChIKey is KLQILVVKCPWEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-4-22-18(20)19(3,21)16-9-11-17(12-10-16)23-13-15-8-6-5-7-14(15)2/h5-12,21H,4,13H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]propanoate?
ethyl 2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]propanoate has a molecular weight of 314.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]propanoate is sourced from PubChem (CID 54001053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).