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

C18H21NO — CID 10355630

IUPAC(4-methylphenyl)-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
SMILESCc1ccc(C(O)c2ccc3c(n2)CCCCC3)cc1
InChIInChI=1S/C18H21NO/c1-13-7-9-15(10-8-13)18(20)17-12-11-14-5-3-2-4-6-16(14)19-17/h7-12,18,20H,2-6H2,1H3
InChIKeyKSZIBGUNXFCCFX-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.74
Rot. Bonds2

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

(4-methylphenyl)-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol (PubChem CID 10355630) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (4-methylphenyl)-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol.

Molecular Properties

Compound Name(4-methylphenyl)-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
PubChem CID10355630
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(4-methylphenyl)-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
SMILESCc1ccc(C(O)c2ccc3c(n2)CCCCC3)cc1
InChIInChI=1S/C18H21NO/c1-13-7-9-15(10-8-13)18(20)17-12-11-14-5-3-2-4-6-16(14)19-17/h7-12,18,20H,2-6H2,1H3
InChIKeyKSZIBGUNXFCCFX-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol?
The IUPAC name of (4-methylphenyl)-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol (CID 10355630) is (4-methylphenyl)-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol.
What is the SMILES notation for (4-methylphenyl)-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol?
The canonical SMILES for (4-methylphenyl)-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol is Cc1ccc(C(O)c2ccc3c(n2)CCCCC3)cc1.
What is the InChIKey of (4-methylphenyl)-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol?
The InChIKey is KSZIBGUNXFCCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-7-9-15(10-8-13)18(20)17-12-11-14-5-3-2-4-6-16(14)19-17/h7-12,18,20H,2-6H2,1H3.
What are the key properties of (4-methylphenyl)-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol?
(4-methylphenyl)-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol has a molecular weight of 267.37 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol is sourced from PubChem (CID 10355630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).