3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol

C19H23NO — CID 142307025

IUPAC3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol
SMILESCC(C)C1CCNc2ccc(Cc3cccc(O)c3)cc21
InChIInChI=1S/C19H23NO/c1-13(2)17-8-9-20-19-7-6-15(12-18(17)19)10-14-4-3-5-16(21)11-14/h3-7,11-13,17,20-21H,8-10H2,1-2H3
InChIKeyUPOWEOMTIWMUHI-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.54
Rot. Bonds3

About 3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol

3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol (PubChem CID 142307025) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol
PubChem CID142307025
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol
SMILESCC(C)C1CCNc2ccc(Cc3cccc(O)c3)cc21
InChIInChI=1S/C19H23NO/c1-13(2)17-8-9-20-19-7-6-15(12-18(17)19)10-14-4-3-5-16(21)11-14/h3-7,11-13,17,20-21H,8-10H2,1-2H3
InChIKeyUPOWEOMTIWMUHI-UHFFFAOYSA-N
XLogP4.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol?
The IUPAC name of 3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol (CID 142307025) is 3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol.
What is the SMILES notation for 3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol?
The canonical SMILES for 3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol is CC(C)C1CCNc2ccc(Cc3cccc(O)c3)cc21.
What is the InChIKey of 3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol?
The InChIKey is UPOWEOMTIWMUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13(2)17-8-9-20-19-7-6-15(12-18(17)19)10-14-4-3-5-16(21)11-14/h3-7,11-13,17,20-21H,8-10H2,1-2H3.
What are the key properties of 3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol?
3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol has a molecular weight of 281.40 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol is sourced from PubChem (CID 142307025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).