5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate

C20H22O3 — CID 110493680

IUPAC5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)Oc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C20H22O3/c1-2-15-7-10-18(11-8-15)22-14-20(21)23-19-12-9-16-5-3-4-6-17(16)13-19/h7-13H,2-6,14H2,1H3
InChIKeyQHTGTTGLJIKERV-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.11
Rot. Bonds5

About 5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate

5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate (PubChem CID 110493680) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate
PubChem CID110493680
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)Oc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C20H22O3/c1-2-15-7-10-18(11-8-15)22-14-20(21)23-19-12-9-16-5-3-4-6-17(16)13-19/h7-13H,2-6,14H2,1H3
InChIKeyQHTGTTGLJIKERV-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate
CID 110493686
methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate
CID 2677869
phenyl 2-(4-ethylphenoxy)acetate
CID 19178986
5,6,7,8-tetrahydronaphthalen-2-yl 2-(2,3-dimethylphenoxy)acetate
CID 110493676
(4-chloro-3-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19178993
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
1-O-methyl 4-O-(5,6,7,8-tetrahydronaphthalen-2-yl) butanedioate
CID 94274501
2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate
CID 67677254
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7570599
(3-formylphenyl) 2-(4-ethylphenoxy)acetate
CID 39199857
1-(2,3-dihydro-1H-inden-5-yloxy)butan-2-one
CID 62038923
ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
CID 103484935

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate?
The IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate (CID 110493680) is 5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)Oc2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate?
The InChIKey is QHTGTTGLJIKERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-2-15-7-10-18(11-8-15)22-14-20(21)23-19-12-9-16-5-3-4-6-17(16)13-19/h7-13H,2-6,14H2,1H3.
What are the key properties of 5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate?
5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate has a molecular weight of 310.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 110493680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).