ethyl 4-cyclohexyloxynaphthalene-1-carboxylate

C19H22O3 — CID 174623624

IUPACethyl 4-cyclohexyloxynaphthalene-1-carboxylate
SMILESCCOC(=O)c1ccc(OC2CCCCC2)c2ccccc12
InChIInChI=1S/C19H22O3/c1-2-21-19(20)17-12-13-18(16-11-7-6-10-15(16)17)22-14-8-4-3-5-9-14/h6-7,10-14H,2-5,8-9H2,1H3
InChIKeyICJXDJALOGIRHU-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.73
Rot. Bonds4

About ethyl 4-cyclohexyloxynaphthalene-1-carboxylate

ethyl 4-cyclohexyloxynaphthalene-1-carboxylate (PubChem CID 174623624) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is ethyl 4-cyclohexyloxynaphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclohexyloxynaphthalene-1-carboxylate
PubChem CID174623624
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Nameethyl 4-cyclohexyloxynaphthalene-1-carboxylate
SMILESCCOC(=O)c1ccc(OC2CCCCC2)c2ccccc12
InChIInChI=1S/C19H22O3/c1-2-21-19(20)17-12-13-18(16-11-7-6-10-15(16)17)22-14-8-4-3-5-9-14/h6-7,10-14H,2-5,8-9H2,1H3
InChIKeyICJXDJALOGIRHU-UHFFFAOYSA-N
XLogP4.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyloxy-4-methylnaphthalene
CID 143504942
cyclohexanol;diethyl benzene-1,2-dicarboxylate
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CID 82796678
ethyl 2-amino-5-cyclohexyloxybenzoate
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ethyl 2-(cyclohexanecarbonyloxy)benzoate
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ethyl 2-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]benzoate
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ethyl 5-amino-3-chloro-2-cycloheptyloxybenzoate
CID 107197699
methyl 2-cyclohexyloxybenzoate
CID 11345342
ethyl 2-cyclobutylbenzoate
CID 106942755
(4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate
CID 88736257
ethyl 2-(cyclopropylamino)benzoate
CID 103438878
ethyl 4-cycloheptyloxy-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate
CID 53303921

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclohexyloxynaphthalene-1-carboxylate?
The IUPAC name of ethyl 4-cyclohexyloxynaphthalene-1-carboxylate (CID 174623624) is ethyl 4-cyclohexyloxynaphthalene-1-carboxylate.
What is the SMILES notation for ethyl 4-cyclohexyloxynaphthalene-1-carboxylate?
The canonical SMILES for ethyl 4-cyclohexyloxynaphthalene-1-carboxylate is CCOC(=O)c1ccc(OC2CCCCC2)c2ccccc12.
What is the InChIKey of ethyl 4-cyclohexyloxynaphthalene-1-carboxylate?
The InChIKey is ICJXDJALOGIRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-2-21-19(20)17-12-13-18(16-11-7-6-10-15(16)17)22-14-8-4-3-5-9-14/h6-7,10-14H,2-5,8-9H2,1H3.
What are the key properties of ethyl 4-cyclohexyloxynaphthalene-1-carboxylate?
ethyl 4-cyclohexyloxynaphthalene-1-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclohexyloxynaphthalene-1-carboxylate is sourced from PubChem (CID 174623624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).