3,4-diethoxy-7-ethylnaphthalen-1-ol

C16H20O3 — CID 19872804

IUPAC3,4-diethoxy-7-ethylnaphthalen-1-ol
SMILESCCOc1cc(O)c2cc(CC)ccc2c1OCC
InChIInChI=1S/C16H20O3/c1-4-11-7-8-12-13(9-11)14(17)10-15(18-5-2)16(12)19-6-3/h7-10,17H,4-6H2,1-3H3
InChIKeyWJLBQBXBKGMAJA-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.91
Rot. Bonds5

About 3,4-diethoxy-7-ethylnaphthalen-1-ol

3,4-diethoxy-7-ethylnaphthalen-1-ol (PubChem CID 19872804) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3,4-diethoxy-7-ethylnaphthalen-1-ol.

Molecular Properties

Compound Name3,4-diethoxy-7-ethylnaphthalen-1-ol
PubChem CID19872804
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name3,4-diethoxy-7-ethylnaphthalen-1-ol
SMILESCCOc1cc(O)c2cc(CC)ccc2c1OCC
InChIInChI=1S/C16H20O3/c1-4-11-7-8-12-13(9-11)14(17)10-15(18-5-2)16(12)19-6-3/h7-10,17H,4-6H2,1-3H3
InChIKeyWJLBQBXBKGMAJA-UHFFFAOYSA-N
XLogP3.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3-triethoxy-5-ethylbenzene
CID 91457664
CID 151326583
CID 151326583
3,4,5-triethoxyphenol
CID 19754898
2-ethoxy-6,7-dimethylnaphthalene-1,4-diol
CID 19886853
2-ethoxy-6-propan-2-ylnaphthalene-1,4-diol
CID 19886648
methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
CID 177233535
3,4,5-triethoxy-2-prop-2-enylphenol
CID 88626302
1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869770
4-ethyl-2-(5-ethyl-2-hydroxyphenoxy)phenol
CID 18691745
2-methoxy-6-propylnaphthalene-1,4-diol
CID 152759210
3-bromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol
CID 13393733
4,5-diethoxy-3-propan-2-ylbenzene-1,2-diol
CID 87960841

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-7-ethylnaphthalen-1-ol?
The IUPAC name of 3,4-diethoxy-7-ethylnaphthalen-1-ol (CID 19872804) is 3,4-diethoxy-7-ethylnaphthalen-1-ol.
What is the SMILES notation for 3,4-diethoxy-7-ethylnaphthalen-1-ol?
The canonical SMILES for 3,4-diethoxy-7-ethylnaphthalen-1-ol is CCOc1cc(O)c2cc(CC)ccc2c1OCC.
What is the InChIKey of 3,4-diethoxy-7-ethylnaphthalen-1-ol?
The InChIKey is WJLBQBXBKGMAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-4-11-7-8-12-13(9-11)14(17)10-15(18-5-2)16(12)19-6-3/h7-10,17H,4-6H2,1-3H3.
What are the key properties of 3,4-diethoxy-7-ethylnaphthalen-1-ol?
3,4-diethoxy-7-ethylnaphthalen-1-ol has a molecular weight of 260.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-7-ethylnaphthalen-1-ol is sourced from PubChem (CID 19872804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).