7-(dimethylamino)-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C19H23NO — CID 54253833

IUPAC7-(dimethylamino)-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCN(C)C1CCc2ccccc2C(O)(c2ccccc2)C1
InChIInChI=1S/C19H23NO/c1-20(2)17-13-12-15-8-6-7-11-18(15)19(21,14-17)16-9-4-3-5-10-16/h3-11,17,21H,12-14H2,1-2H3
InChIKeyQYQCHWFJKODOFG-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.19
Rot. Bonds2

About 7-(dimethylamino)-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

7-(dimethylamino)-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 54253833) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 7-(dimethylamino)-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name7-(dimethylamino)-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID54253833
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name7-(dimethylamino)-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCN(C)C1CCc2ccccc2C(O)(c2ccccc2)C1
InChIInChI=1S/C19H23NO/c1-20(2)17-13-12-15-8-6-7-11-18(15)19(21,14-17)16-9-4-3-5-10-16/h3-11,17,21H,12-14H2,1-2H3
InChIKeyQYQCHWFJKODOFG-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 7-(dimethylamino)-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 54253833) is 7-(dimethylamino)-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 7-(dimethylamino)-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 7-(dimethylamino)-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is CN(C)C1CCc2ccccc2C(O)(c2ccccc2)C1.
What is the InChIKey of 7-(dimethylamino)-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is QYQCHWFJKODOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-20(2)17-13-12-15-8-6-7-11-18(15)19(21,14-17)16-9-4-3-5-10-16/h3-11,17,21H,12-14H2,1-2H3.
What are the key properties of 7-(dimethylamino)-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
7-(dimethylamino)-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 281.40 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 54253833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).