4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol

C18H20BrNO — CID 82958799

IUPAC4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol
SMILESCc1ccc2c(c1)CCCN2C(C)c1cc(Br)ccc1O
InChIInChI=1S/C18H20BrNO/c1-12-5-7-17-14(10-12)4-3-9-20(17)13(2)16-11-15(19)6-8-18(16)21/h5-8,10-11,13,21H,3-4,9H2,1-2H3
InChIKeyJUJBQPUTMZLFKL-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.98
Rot. Bonds2

About 4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol

4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol (PubChem CID 82958799) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol
PubChem CID82958799
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol
SMILESCc1ccc2c(c1)CCCN2C(C)c1cc(Br)ccc1O
InChIInChI=1S/C18H20BrNO/c1-12-5-7-17-14(10-12)4-3-9-20(17)13(2)16-11-15(19)6-8-18(16)21/h5-8,10-11,13,21H,3-4,9H2,1-2H3
InChIKeyJUJBQPUTMZLFKL-UHFFFAOYSA-N
XLogP4.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol?
The IUPAC name of 4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol (CID 82958799) is 4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol.
What is the SMILES notation for 4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol?
The canonical SMILES for 4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol is Cc1ccc2c(c1)CCCN2C(C)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol?
The InChIKey is JUJBQPUTMZLFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-12-5-7-17-14(10-12)4-3-9-20(17)13(2)16-11-15(19)6-8-18(16)21/h5-8,10-11,13,21H,3-4,9H2,1-2H3.
What are the key properties of 4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol?
4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol has a molecular weight of 346.27 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol is sourced from PubChem (CID 82958799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).