ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate

C23H28O2 — CID 18357939

IUPACethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate
SMILESCCOC(=O)c1ccccc1-c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H28O2/c1-6-25-21(24)18-10-8-7-9-17(18)16-11-12-19-20(15-16)23(4,5)14-13-22(19,2)3/h7-12,15H,6,13-14H2,1-5H3
InChIKeyHTLYFLFFJOLPHR-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.88
Rot. Bonds3

About ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate

ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate (PubChem CID 18357939) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate.

Molecular Properties

Compound Nameethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate
PubChem CID18357939
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Nameethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate
SMILESCCOC(=O)c1ccccc1-c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H28O2/c1-6-25-21(24)18-10-8-7-9-17(18)16-11-12-19-20(15-16)23(4,5)14-13-22(19,2)3/h7-12,15H,6,13-14H2,1-5H3
InChIKeyHTLYFLFFJOLPHR-UHFFFAOYSA-N
XLogP5.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(4-methylphenyl)benzoate
CID 10922668
diethyl 3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)benzene-1,2-dicarboxylate
CID 19834236
ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 2-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]prop-2-enoate
CID 22634631
ethyl 2-(3-nitrophenyl)benzoate
CID 71742619
ethyl 2-(9,9-dioctylfluoren-2-yl)benzoate
CID 67476761
ethyl 2-(4-propan-2-ylphenyl)benzoate
CID 59820247
ethyl 2-(4-methoxycarbonylphenyl)benzoate
CID 170872162
ethyl 4-[4-(4-hydroxybutoxy)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]benzoate
CID 66660890
ethyl 2-(3-ethoxycarbonylphenyl)-3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoate
CID 54037257
ethyl 4-(3-benzyl-5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)benzoate
CID 54174114

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate?
The IUPAC name of ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate (CID 18357939) is ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate.
What is the SMILES notation for ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate?
The canonical SMILES for ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate is CCOC(=O)c1ccccc1-c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate?
The InChIKey is HTLYFLFFJOLPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-6-25-21(24)18-10-8-7-9-17(18)16-11-12-19-20(15-16)23(4,5)14-13-22(19,2)3/h7-12,15H,6,13-14H2,1-5H3.
What are the key properties of ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate?
ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate has a molecular weight of 336.48 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate is sourced from PubChem (CID 18357939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).