2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate

C11H13ClO3 — CID 177306970

IUPAC2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate
SMILESCc1cc(C(=O)OCCO)cc(C)c1Cl
InChIInChI=1S/C11H13ClO3/c1-7-5-9(6-8(2)10(7)12)11(14)15-4-3-13/h5-6,13H,3-4H2,1-2H3
InChIKeyPIFWBZWCFICVEW-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.11
Rot. Bonds3

About 2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate

2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate (PubChem CID 177306970) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate.

Molecular Properties

Compound Name2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate
PubChem CID177306970
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate
SMILESCc1cc(C(=O)OCCO)cc(C)c1Cl
InChIInChI=1S/C11H13ClO3/c1-7-5-9(6-8(2)10(7)12)11(14)15-4-3-13/h5-6,13H,3-4H2,1-2H3
InChIKeyPIFWBZWCFICVEW-UHFFFAOYSA-N
XLogP2.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl 4-fluoro-3-methylbenzoate
CID 116862866
propyl 4-hydroxy-3,5-dimethylbenzoate
CID 70849133
2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate
CID 116862902
ethyl 4-chloro-3-methyl-5-nitrobenzoate
CID 70402498
2-(2-hydroxyethoxy)ethyl 4-amino-3-methylbenzoate
CID 61321259
ethyl 3,4,5-trichlorobenzoate
CID 14692896
3-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid
CID 126612228
bis(2-hydroxyethyl) benzene-1,4-dicarboxylate;3-methylbenzene-1,2-diol
CID 66700398
CID 57489105
CID 57489105
1-(4-chloro-3,5-dimethylphenyl)butan-1-one
CID 91656871
2-hydroxyethyl 4-methoxy-3-methyl-5-(2-methylheptan-2-yl)benzoate
CID 54255494
2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate
CID 161417180

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate?
The IUPAC name of 2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate (CID 177306970) is 2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate.
What is the SMILES notation for 2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate?
The canonical SMILES for 2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate is Cc1cc(C(=O)OCCO)cc(C)c1Cl.
What is the InChIKey of 2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate?
The InChIKey is PIFWBZWCFICVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-7-5-9(6-8(2)10(7)12)11(14)15-4-3-13/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate?
2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate has a molecular weight of 228.67 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate is sourced from PubChem (CID 177306970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).