2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate

C17H18O4 — CID 55318473

IUPAC2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate
SMILESCCc1cccc(OCCOC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C17H18O4/c1-2-13-5-3-8-16(11-13)20-9-10-21-17(19)14-6-4-7-15(18)12-14/h3-8,11-12,18H,2,9-10H2,1H3
InChIKeyICDIMQSHKSJVBL-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.19
Rot. Bonds6

About 2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate

2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate (PubChem CID 55318473) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate.

Molecular Properties

Compound Name2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate
PubChem CID55318473
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate
SMILESCCc1cccc(OCCOC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C17H18O4/c1-2-13-5-3-8-16(11-13)20-9-10-21-17(19)14-6-4-7-15(18)12-14/h3-8,11-12,18H,2,9-10H2,1H3
InChIKeyICDIMQSHKSJVBL-UHFFFAOYSA-N
XLogP3.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-O-[2-(3-ethylphenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308189
2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate
CID 55338836
2-(3-methylphenoxy)ethyl 3-(methoxymethyl)benzoate
CID 55386133
3-phenylpropyl 3-hydroxybenzoate
CID 16641326
3-[2-(3-ethylphenoxy)ethoxy]benzenecarbothioamide
CID 43291286
4-(3-ethylphenoxy)butanamide
CID 82040637
3-(3-ethylphenoxy)-1-phenylpropan-1-one
CID 116692020
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
[3-(2-phenoxyethoxycarbonyl)phenyl] 3-propoxybenzoate
CID 17161878
[3-(2-phenylethoxycarbonyl)phenyl] 3-(2-phenoxyethoxy)benzoate
CID 17162297
2-(3-ethylphenoxy)ethyl 2-methylsulfonylbenzoate
CID 55310389
propyl 2-(3-ethylphenoxy)acetate
CID 71628037

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate?
The IUPAC name of 2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate (CID 55318473) is 2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate.
What is the SMILES notation for 2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate?
The canonical SMILES for 2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate is CCc1cccc(OCCOC(=O)c2cccc(O)c2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate?
The InChIKey is ICDIMQSHKSJVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-2-13-5-3-8-16(11-13)20-9-10-21-17(19)14-6-4-7-15(18)12-14/h3-8,11-12,18H,2,9-10H2,1H3.
What are the key properties of 2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate?
2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate has a molecular weight of 286.33 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate is sourced from PubChem (CID 55318473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).