[4-(4-cyclohexylphenyl)-1,2-dihydrophthalazin-1-yl]methanol

C21H24N2O — CID 175311112

IUPAC[4-(4-cyclohexylphenyl)-1,2-dihydrophthalazin-1-yl]methanol
SMILESOCC1NN=C(c2ccc(C3CCCCC3)cc2)c2ccccc21
InChIInChI=1S/C21H24N2O/c24-14-20-18-8-4-5-9-19(18)21(23-22-20)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h4-5,8-13,15,20,22,24H,1-3,6-7,14H2
InChIKeyINSVLHUSTNQGMW-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.12
Rot. Bonds3

About [4-(4-cyclohexylphenyl)-1,2-dihydrophthalazin-1-yl]methanol

[4-(4-cyclohexylphenyl)-1,2-dihydrophthalazin-1-yl]methanol (PubChem CID 175311112) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is [4-(4-cyclohexylphenyl)-1,2-dihydrophthalazin-1-yl]methanol.

Molecular Properties

Compound Name[4-(4-cyclohexylphenyl)-1,2-dihydrophthalazin-1-yl]methanol
PubChem CID175311112
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name[4-(4-cyclohexylphenyl)-1,2-dihydrophthalazin-1-yl]methanol
SMILESOCC1NN=C(c2ccc(C3CCCCC3)cc2)c2ccccc21
InChIInChI=1S/C21H24N2O/c24-14-20-18-8-4-5-9-19(18)21(23-22-20)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h4-5,8-13,15,20,22,24H,1-3,6-7,14H2
InChIKeyINSVLHUSTNQGMW-UHFFFAOYSA-N
XLogP4.12
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclohexylphenyl)-1,2-dihydrophthalazin-1-yl]methanol?
The IUPAC name of [4-(4-cyclohexylphenyl)-1,2-dihydrophthalazin-1-yl]methanol (CID 175311112) is [4-(4-cyclohexylphenyl)-1,2-dihydrophthalazin-1-yl]methanol.
What is the SMILES notation for [4-(4-cyclohexylphenyl)-1,2-dihydrophthalazin-1-yl]methanol?
The canonical SMILES for [4-(4-cyclohexylphenyl)-1,2-dihydrophthalazin-1-yl]methanol is OCC1NN=C(c2ccc(C3CCCCC3)cc2)c2ccccc21.
What is the InChIKey of [4-(4-cyclohexylphenyl)-1,2-dihydrophthalazin-1-yl]methanol?
The InChIKey is INSVLHUSTNQGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-14-20-18-8-4-5-9-19(18)21(23-22-20)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h4-5,8-13,15,20,22,24H,1-3,6-7,14H2.
What are the key properties of [4-(4-cyclohexylphenyl)-1,2-dihydrophthalazin-1-yl]methanol?
[4-(4-cyclohexylphenyl)-1,2-dihydrophthalazin-1-yl]methanol has a molecular weight of 320.44 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclohexylphenyl)-1,2-dihydrophthalazin-1-yl]methanol is sourced from PubChem (CID 175311112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).