ethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate

C12H15ClO3 — CID 105426673

IUPACethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H15ClO3/c1-4-16-11(15)12(2,3)8-5-6-10(14)9(13)7-8/h5-7,14H,4H2,1-3H3
InChIKeyWDAPXOMAWYZTJQ-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.89
Rot. Bonds3

About ethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate

ethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate (PubChem CID 105426673) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is ethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate
PubChem CID105426673
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H15ClO3/c1-4-16-11(15)12(2,3)8-5-6-10(14)9(13)7-8/h5-7,14H,4H2,1-3H3
InChIKeyWDAPXOMAWYZTJQ-UHFFFAOYSA-N
XLogP2.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-chloro-4-methylphenyl)-2-methylpropanoate
CID 105426730
ethyl 2-(4-amino-3-hydroxyphenyl)-2-methylpropanoate
CID 171524630
ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate
CID 105426760
ethyl 2-(4-iodophenyl)-2-methylpropanoate
CID 18801050
ethane;ethyl 2-(4-bromophenyl)-2-methylpropanoate
CID 144556613
ethyl 2-[4-(aminomethyl)-3-(hydroxymethyl)phenyl]-2-methylpropanoate
CID 175319480
ethyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropanoate
CID 107289959
ethyl 2-[4-[3-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phenyl]propyl]phenyl]-2-methylpropanoate
CID 70583800
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 160629016
ethyl 2-methyl-2-(6-methyl-3-pyridinyl)propanoate
CID 63158204
ethyl 2-(4-methanethioylphenyl)-2-methylpropanoate
CID 87118214
2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid
CID 105424799

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate (CID 105426673) is ethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate is CCOC(=O)C(C)(C)c1ccc(O)c(Cl)c1.
What is the InChIKey of ethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate?
The InChIKey is WDAPXOMAWYZTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-4-16-11(15)12(2,3)8-5-6-10(14)9(13)7-8/h5-7,14H,4H2,1-3H3.
What are the key properties of ethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate?
ethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate has a molecular weight of 242.70 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate is sourced from PubChem (CID 105426673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).