[4-(4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol

C21H21NO — CID 51360686

IUPAC[4-(4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol
SMILESCn1ccc2c(-c3ccc(CO)cc3)cc3c(c21)C1CCC3C1
InChIInChI=1S/C21H21NO/c1-22-9-8-17-18(14-4-2-13(12-23)3-5-14)11-19-15-6-7-16(10-15)20(19)21(17)22/h2-5,8-9,11,15-16,23H,6-7,10,12H2,1H3
InChIKeyQIERDOBOSKGCNP-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.70
Rot. Bonds2

About [4-(4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol

[4-(4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol (PubChem CID 51360686) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is [4-(4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol
PubChem CID51360686
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name[4-(4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol
SMILESCn1ccc2c(-c3ccc(CO)cc3)cc3c(c21)C1CCC3C1
InChIInChI=1S/C21H21NO/c1-22-9-8-17-18(14-4-2-13(12-23)3-5-14)11-19-15-6-7-16(10-15)20(19)21(17)22/h2-5,8-9,11,15-16,23H,6-7,10,12H2,1H3
InChIKeyQIERDOBOSKGCNP-UHFFFAOYSA-N
XLogP4.70
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol?
The IUPAC name of [4-(4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol (CID 51360686) is [4-(4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol.
What is the SMILES notation for [4-(4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol?
The canonical SMILES for [4-(4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol is Cn1ccc2c(-c3ccc(CO)cc3)cc3c(c21)C1CCC3C1.
What is the InChIKey of [4-(4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol?
The InChIKey is QIERDOBOSKGCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-22-9-8-17-18(14-4-2-13(12-23)3-5-14)11-19-15-6-7-16(10-15)20(19)21(17)22/h2-5,8-9,11,15-16,23H,6-7,10,12H2,1H3.
What are the key properties of [4-(4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol?
[4-(4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol has a molecular weight of 303.41 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol is sourced from PubChem (CID 51360686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).