(3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-(4-methylphenyl)methanol

C17H19NO — CID 10332500

IUPAC(3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2nc3c(cc2C)CCC3)cc1
InChIInChI=1S/C17H19NO/c1-11-6-8-13(9-7-11)17(19)16-12(2)10-14-4-3-5-15(14)18-16/h6-10,17,19H,3-5H2,1-2H3
InChIKeyUOPVVYHZWGMFHL-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.27
Rot. Bonds2

About (3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-(4-methylphenyl)methanol

(3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-(4-methylphenyl)methanol (PubChem CID 10332500) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-(4-methylphenyl)methanol
PubChem CID10332500
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2nc3c(cc2C)CCC3)cc1
InChIInChI=1S/C17H19NO/c1-11-6-8-13(9-7-11)17(19)16-12(2)10-14-4-3-5-15(14)18-16/h6-10,17,19H,3-5H2,1-2H3
InChIKeyUOPVVYHZWGMFHL-UHFFFAOYSA-N
XLogP3.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-(4-methylphenyl)methanol?
The IUPAC name of (3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-(4-methylphenyl)methanol (CID 10332500) is (3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-(4-methylphenyl)methanol.
What is the SMILES notation for (3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-(4-methylphenyl)methanol?
The canonical SMILES for (3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-(4-methylphenyl)methanol is Cc1ccc(C(O)c2nc3c(cc2C)CCC3)cc1.
What is the InChIKey of (3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-(4-methylphenyl)methanol?
The InChIKey is UOPVVYHZWGMFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-11-6-8-13(9-7-11)17(19)16-12(2)10-14-4-3-5-15(14)18-16/h6-10,17,19H,3-5H2,1-2H3.
What are the key properties of (3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-(4-methylphenyl)methanol?
(3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-(4-methylphenyl)methanol has a molecular weight of 253.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-(4-methylphenyl)methanol is sourced from PubChem (CID 10332500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).