2-[hydroxy(pyridazin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one

C15H14N2O2 — CID 10729611

IUPAC2-[hydroxy(pyridazin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1C(O)c1ccnnc1
InChIInChI=1S/C15H14N2O2/c18-14(11-7-8-16-17-9-11)13-6-5-10-3-1-2-4-12(10)15(13)19/h1-4,7-9,13-14,18H,5-6H2
InChIKeyHEXXQXPBBNSYQW-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.96
Rot. Bonds2

About 2-[hydroxy(pyridazin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one

2-[hydroxy(pyridazin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10729611) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[hydroxy(pyridazin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[hydroxy(pyridazin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10729611
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[hydroxy(pyridazin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1C(O)c1ccnnc1
InChIInChI=1S/C15H14N2O2/c18-14(11-7-8-16-17-9-11)13-6-5-10-3-1-2-4-12(10)15(13)19/h1-4,7-9,13-14,18H,5-6H2
InChIKeyHEXXQXPBBNSYQW-UHFFFAOYSA-N
XLogP1.96
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxy-pyridazin-3-yl-methyl)-3,4-dihydro-2H-naphthalen-1-one
CID 10610950
2-(Fluoromethyl)-4-pyridazin-4-ylbenzoic acid
CID 175494447
4-[3-Cyclohexylpropoxy(pyridazin-4-yl)methyl]-2-(2-methylphenyl)benzoic acid
CID 22014008
2-(2-Methylphenyl)-4-(pyridazin-4-ylmethoxymethyl)benzoic acid
CID 22014158
3-Pyridazin-4-ylbenzoic acid
CID 22317806
4-(4-Pyridazinyl)benzoic acid
CID 22329719
4-[(3-Cyclohexyl-1-pyridazin-4-ylpropoxy)methyl]-2-(2-methylphenyl)benzoic acid
CID 59949442
4-Methyl-3-(pyridazin-4-yl)benzoic acid
CID 66764009
Methyl 4-[methoxy(pyridazin-4-yl)methyl]-2-(2-methylphenyl)benzoate
CID 70224546
4-[4-[3-(2-Methyl-3-pyridazin-4-ylphenyl)-3-oxopropyl]phenyl]benzoic acid
CID 89579955
3-[3-(2-Methyl-3-pyridazin-4-ylphenyl)-3-oxopropyl]-4-phenylbenzoic acid
CID 89580034
2-Pyridazin-4-ylbenzoic acid
CID 151186451

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(pyridazin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[hydroxy(pyridazin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 10729611) is 2-[hydroxy(pyridazin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[hydroxy(pyridazin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[hydroxy(pyridazin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CCC1C(O)c1ccnnc1.
What is the InChIKey of 2-[hydroxy(pyridazin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is HEXXQXPBBNSYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-14(11-7-8-16-17-9-11)13-6-5-10-3-1-2-4-12(10)15(13)19/h1-4,7-9,13-14,18H,5-6H2.
What are the key properties of 2-[hydroxy(pyridazin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
2-[hydroxy(pyridazin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 254.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(pyridazin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10729611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).