(R)-(4-methylphenyl)-[(9R)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]methanol

C18H21NO — CID 10107041

IUPAC(R)-(4-methylphenyl)-[(9R)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]methanol
SMILESCc1ccc([C@H](O)[C@@H]2CCCCc3cccnc32)cc1
InChIInChI=1S/C18H21NO/c1-13-8-10-15(11-9-13)18(20)16-7-3-2-5-14-6-4-12-19-17(14)16/h4,6,8-12,16,18,20H,2-3,5,7H2,1H3/t16-,18+/m1/s1
InChIKeyVETJPNXWLIHPDW-AEFFLSMTSA-N
MW267.37 g/mol
LogP3.93
Rot. Bonds2

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

(R)-(4-methylphenyl)-[(9R)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]methanol (PubChem CID 10107041) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (R)-(4-methylphenyl)-[(9R)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]methanol.

Molecular Properties

Compound Name(R)-(4-methylphenyl)-[(9R)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]methanol
PubChem CID10107041
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(R)-(4-methylphenyl)-[(9R)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]methanol
SMILESCc1ccc([C@H](O)[C@@H]2CCCCc3cccnc32)cc1
InChIInChI=1S/C18H21NO/c1-13-8-10-15(11-9-13)18(20)16-7-3-2-5-14-6-4-12-19-17(14)16/h4,6,8-12,16,18,20H,2-3,5,7H2,1H3/t16-,18+/m1/s1
InChIKeyVETJPNXWLIHPDW-AEFFLSMTSA-N
XLogP3.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-(4-methylphenyl)-[(9R)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]methanol?
The IUPAC name of (R)-(4-methylphenyl)-[(9R)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]methanol (CID 10107041) is (R)-(4-methylphenyl)-[(9R)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]methanol.
What is the SMILES notation for (R)-(4-methylphenyl)-[(9R)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]methanol?
The canonical SMILES for (R)-(4-methylphenyl)-[(9R)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]methanol is Cc1ccc([C@H](O)[C@@H]2CCCCc3cccnc32)cc1.
What is the InChIKey of (R)-(4-methylphenyl)-[(9R)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]methanol?
The InChIKey is VETJPNXWLIHPDW-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-8-10-15(11-9-13)18(20)16-7-3-2-5-14-6-4-12-19-17(14)16/h4,6,8-12,16,18,20H,2-3,5,7H2,1H3/t16-,18+/m1/s1.
What are the key properties of (R)-(4-methylphenyl)-[(9R)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]methanol?
(R)-(4-methylphenyl)-[(9R)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]methanol has a molecular weight of 267.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-methylphenyl)-[(9R)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]methanol is sourced from PubChem (CID 10107041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).