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

C19H23NO — CID 10039384

IUPAC1-(4-methylphenyl)-2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol
SMILESCc1ccc(C(O)Cc2ccc3c(n2)CCCCC3)cc1
InChIInChI=1S/C19H23NO/c1-14-7-9-16(10-8-14)19(21)13-17-12-11-15-5-3-2-4-6-18(15)20-17/h7-12,19,21H,2-6,13H2,1H3
InChIKeyLZHORLALSZMUEH-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.94
Rot. Bonds3

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

1-(4-methylphenyl)-2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol (PubChem CID 10039384) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol
PubChem CID10039384
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(4-methylphenyl)-2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol
SMILESCc1ccc(C(O)Cc2ccc3c(n2)CCCCC3)cc1
InChIInChI=1S/C19H23NO/c1-14-7-9-16(10-8-14)19(21)13-17-12-11-15-5-3-2-4-6-18(15)20-17/h7-12,19,21H,2-6,13H2,1H3
InChIKeyLZHORLALSZMUEH-UHFFFAOYSA-N
XLogP3.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol?
The IUPAC name of 1-(4-methylphenyl)-2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol (CID 10039384) is 1-(4-methylphenyl)-2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol?
The canonical SMILES for 1-(4-methylphenyl)-2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol is Cc1ccc(C(O)Cc2ccc3c(n2)CCCCC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol?
The InChIKey is LZHORLALSZMUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-7-9-16(10-8-14)19(21)13-17-12-11-15-5-3-2-4-6-18(15)20-17/h7-12,19,21H,2-6,13H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol?
1-(4-methylphenyl)-2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol has a molecular weight of 281.40 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol is sourced from PubChem (CID 10039384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).