16-ethoxytetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid

C19H18O3 — CID 70198624

IUPAC16-ethoxytetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
SMILESCCOC1C2c3ccccc3C(c3ccccc32)C1C(=O)O
InChIInChI=1S/C19H18O3/c1-2-22-18-16-13-9-5-3-7-11(13)15(17(18)19(20)21)12-8-4-6-10-14(12)16/h3-10,15-18H,2H2,1H3,(H,20,21)
InChIKeyCCMIEHBPLQMNMY-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.38
Rot. Bonds3

About 16-ethoxytetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid

16-ethoxytetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid (PubChem CID 70198624) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 16-ethoxytetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid.

Molecular Properties

Compound Name16-ethoxytetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
PubChem CID70198624
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name16-ethoxytetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
SMILESCCOC1C2c3ccccc3C(c3ccccc32)C1C(=O)O
InChIInChI=1S/C19H18O3/c1-2-22-18-16-13-9-5-3-7-11(13)15(17(18)19(20)21)12-8-4-6-10-14(12)16/h3-10,15-18H,2H2,1H3,(H,20,21)
InChIKeyCCMIEHBPLQMNMY-UHFFFAOYSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 16-ethoxytetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid with MolForge

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Related Compounds

16-propoxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 2828002
(15S,16S)-16-(3-methylbutoxycarbonyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 163163146
16-[(4-ethoxyphenyl)carbamoyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 2838145
(1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70130242
16-[(4-ethoxycarbonylphenyl)carbamoyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 3764153
bis(2-methylpropyl) (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
CID 1098666
(15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 6989832
dibutyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
CID 3106700
16-(benzylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 6611403
3-methyl-2,3-dihydro-1H-indene-1,2-dicarboxylic acid
CID 142007769
(1S,8R)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9,10-dicarboxylic acid
CID 44888706
(1R,8R,9S,10S)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9,10-dicarboxylic acid
CID 99956888

Frequently Asked Questions

What is the IUPAC name of 16-ethoxytetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
The IUPAC name of 16-ethoxytetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid (CID 70198624) is 16-ethoxytetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid.
What is the SMILES notation for 16-ethoxytetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
The canonical SMILES for 16-ethoxytetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid is CCOC1C2c3ccccc3C(c3ccccc32)C1C(=O)O.
What is the InChIKey of 16-ethoxytetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
The InChIKey is CCMIEHBPLQMNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-2-22-18-16-13-9-5-3-7-11(13)15(17(18)19(20)21)12-8-4-6-10-14(12)16/h3-10,15-18H,2H2,1H3,(H,20,21).
What are the key properties of 16-ethoxytetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
16-ethoxytetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-ethoxytetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid is sourced from PubChem (CID 70198624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).