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

C19H23NO — CID 142306893

IUPAC4-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol
SMILESCC(C)C1CCNc2ccc(Cc3ccc(O)cc3)cc21
InChIInChI=1S/C19H23NO/c1-13(2)17-9-10-20-19-8-5-15(12-18(17)19)11-14-3-6-16(21)7-4-14/h3-8,12-13,17,20-21H,9-11H2,1-2H3
InChIKeyKRHDUSJIIUFULG-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.54
Rot. Bonds3

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

4-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol (PubChem CID 142306893) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol
PubChem CID142306893
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol
SMILESCC(C)C1CCNc2ccc(Cc3ccc(O)cc3)cc21
InChIInChI=1S/C19H23NO/c1-13(2)17-9-10-20-19-8-5-15(12-18(17)19)11-14-3-6-16(21)7-4-14/h3-8,12-13,17,20-21H,9-11H2,1-2H3
InChIKeyKRHDUSJIIUFULG-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 4-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol?
The IUPAC name of 4-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol (CID 142306893) is 4-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol.
What is the SMILES notation for 4-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol?
The canonical SMILES for 4-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol is CC(C)C1CCNc2ccc(Cc3ccc(O)cc3)cc21.
What is the InChIKey of 4-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol?
The InChIKey is KRHDUSJIIUFULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13(2)17-9-10-20-19-8-5-15(12-18(17)19)11-14-3-6-16(21)7-4-14/h3-8,12-13,17,20-21H,9-11H2,1-2H3.
What are the key properties of 4-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol?
4-[(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 4-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol is sourced from PubChem (CID 142306893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).