1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol

C20H25NO — CID 10402261

IUPAC1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol
SMILESCc1ccc(C(C)(O)c2nc3c(cc2C)CCCCC3)cc1
InChIInChI=1S/C20H25NO/c1-14-9-11-17(12-10-14)20(3,22)19-15(2)13-16-7-5-4-6-8-18(16)21-19/h9-13,22H,4-8H2,1-3H3
InChIKeyQFKGXUQGBLXIGX-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.22
Rot. Bonds2

About 1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol

1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol (PubChem CID 10402261) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol
PubChem CID10402261
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol
SMILESCc1ccc(C(C)(O)c2nc3c(cc2C)CCCCC3)cc1
InChIInChI=1S/C20H25NO/c1-14-9-11-17(12-10-14)20(3,22)19-15(2)13-16-7-5-4-6-8-18(16)21-19/h9-13,22H,4-8H2,1-3H3
InChIKeyQFKGXUQGBLXIGX-UHFFFAOYSA-N
XLogP4.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol?
The IUPAC name of 1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol (CID 10402261) is 1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol?
The canonical SMILES for 1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol is Cc1ccc(C(C)(O)c2nc3c(cc2C)CCCCC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol?
The InChIKey is QFKGXUQGBLXIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-14-9-11-17(12-10-14)20(3,22)19-15(2)13-16-7-5-4-6-8-18(16)21-19/h9-13,22H,4-8H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol?
1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol has a molecular weight of 295.43 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol is sourced from PubChem (CID 10402261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).