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

C17H19NO — CID 82972988

IUPAC4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
SMILESCC1CCc2ccccc2N1Cc1ccc(O)cc1
InChIInChI=1S/C17H19NO/c1-13-6-9-15-4-2-3-5-17(15)18(13)12-14-7-10-16(19)11-8-14/h2-5,7-8,10-11,13,19H,6,9,12H2,1H3
InChIKeyZFCRYUKSGYOAJC-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.73
Rot. Bonds2

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

4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol (PubChem CID 82972988) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
PubChem CID82972988
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
SMILESCC1CCc2ccccc2N1Cc1ccc(O)cc1
InChIInChI=1S/C17H19NO/c1-13-6-9-15-4-2-3-5-17(15)18(13)12-14-7-10-16(19)11-8-14/h2-5,7-8,10-11,13,19H,6,9,12H2,1H3
InChIKeyZFCRYUKSGYOAJC-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol?
The IUPAC name of 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol (CID 82972988) is 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol?
The canonical SMILES for 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol is CC1CCc2ccccc2N1Cc1ccc(O)cc1.
What is the InChIKey of 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol?
The InChIKey is ZFCRYUKSGYOAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-6-9-15-4-2-3-5-17(15)18(13)12-14-7-10-16(19)11-8-14/h2-5,7-8,10-11,13,19H,6,9,12H2,1H3.
What are the key properties of 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol?
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol has a molecular weight of 253.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol is sourced from PubChem (CID 82972988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).