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

C17H19NO — CID 82981195

IUPAC3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
SMILESCC1Cc2ccccc2N(Cc2cccc(O)c2)C1
InChIInChI=1S/C17H19NO/c1-13-9-15-6-2-3-8-17(15)18(11-13)12-14-5-4-7-16(19)10-14/h2-8,10,13,19H,9,11-12H2,1H3
InChIKeyVTWDVIYBLDWORJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.59
Rot. Bonds2

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

3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol (PubChem CID 82981195) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
PubChem CID82981195
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
SMILESCC1Cc2ccccc2N(Cc2cccc(O)c2)C1
InChIInChI=1S/C17H19NO/c1-13-9-15-6-2-3-8-17(15)18(11-13)12-14-5-4-7-16(19)10-14/h2-8,10,13,19H,9,11-12H2,1H3
InChIKeyVTWDVIYBLDWORJ-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol?
The IUPAC name of 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol (CID 82981195) is 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol.
What is the SMILES notation for 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol?
The canonical SMILES for 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol is CC1Cc2ccccc2N(Cc2cccc(O)c2)C1.
What is the InChIKey of 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol?
The InChIKey is VTWDVIYBLDWORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-9-15-6-2-3-8-17(15)18(11-13)12-14-5-4-7-16(19)10-14/h2-8,10,13,19H,9,11-12H2,1H3.
What are the key properties of 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol?
3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol has a molecular weight of 253.35 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol is sourced from PubChem (CID 82981195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).