6-ethyl-6-(2-ethyl-4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol

C21H26O2 — CID 68733185

IUPAC6-ethyl-6-(2-ethyl-4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol
SMILESCCc1cc(O)ccc1C1(CC)CCCc2cc(O)ccc2C1
InChIInChI=1S/C21H26O2/c1-3-15-12-19(23)9-10-20(15)21(4-2)11-5-6-16-13-18(22)8-7-17(16)14-21/h7-10,12-13,22-23H,3-6,11,14H2,1-2H3
InChIKeyTZTGARMMSBTALH-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.89
Rot. Bonds3

About 6-ethyl-6-(2-ethyl-4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol

6-ethyl-6-(2-ethyl-4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol (PubChem CID 68733185) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 6-ethyl-6-(2-ethyl-4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol.

Molecular Properties

Compound Name6-ethyl-6-(2-ethyl-4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol
PubChem CID68733185
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name6-ethyl-6-(2-ethyl-4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol
SMILESCCc1cc(O)ccc1C1(CC)CCCc2cc(O)ccc2C1
InChIInChI=1S/C21H26O2/c1-3-15-12-19(23)9-10-20(15)21(4-2)11-5-6-16-13-18(22)8-7-17(16)14-21/h7-10,12-13,22-23H,3-6,11,14H2,1-2H3
InChIKeyTZTGARMMSBTALH-UHFFFAOYSA-N
XLogP4.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-(2-ethyl-4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol?
The IUPAC name of 6-ethyl-6-(2-ethyl-4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol (CID 68733185) is 6-ethyl-6-(2-ethyl-4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol.
What is the SMILES notation for 6-ethyl-6-(2-ethyl-4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol?
The canonical SMILES for 6-ethyl-6-(2-ethyl-4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol is CCc1cc(O)ccc1C1(CC)CCCc2cc(O)ccc2C1.
What is the InChIKey of 6-ethyl-6-(2-ethyl-4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol?
The InChIKey is TZTGARMMSBTALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-3-15-12-19(23)9-10-20(15)21(4-2)11-5-6-16-13-18(22)8-7-17(16)14-21/h7-10,12-13,22-23H,3-6,11,14H2,1-2H3.
What are the key properties of 6-ethyl-6-(2-ethyl-4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol?
6-ethyl-6-(2-ethyl-4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol has a molecular weight of 310.44 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-(2-ethyl-4-hydroxyphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-2-ol is sourced from PubChem (CID 68733185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).