[4-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]phenyl]-phenylmethanone

C19H19N3O2 — CID 24793536

IUPAC[4-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Cn2cc(CCCO)nn2)cc1
InChIInChI=1S/C19H19N3O2/c23-12-4-7-18-14-22(21-20-18)13-15-8-10-17(11-9-15)19(24)16-5-2-1-3-6-16/h1-3,5-6,8-11,14,23H,4,7,12-13H2
InChIKeyOOXDSEOVRISLHL-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.48
Rot. Bonds7

About [4-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]phenyl]-phenylmethanone

[4-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]phenyl]-phenylmethanone (PubChem CID 24793536) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is [4-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]phenyl]-phenylmethanone
PubChem CID24793536
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name[4-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Cn2cc(CCCO)nn2)cc1
InChIInChI=1S/C19H19N3O2/c23-12-4-7-18-14-22(21-20-18)13-15-8-10-17(11-9-15)19(24)16-5-2-1-3-6-16/h1-3,5-6,8-11,14,23H,4,7,12-13H2
InChIKeyOOXDSEOVRISLHL-UHFFFAOYSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[1-[(4-Benzoylphenyl)methyl]triazol-4-yl]nonanoic acid
CID 24789333
[4-[[4-(4-Pentylphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone
CID 24793584
Phenyl-[4-[(4-phenyl-1-triazolyl)methyl]phenyl]methanone
CID 24789347
3-(1-benzyl-1H-tetrazol-5-yl)-1-phenylpropan-1-one
CID 46890246
(E)-1-[4-[2-[1-[(3-fluorophenyl)methyl]triazol-4-yl]ethyl]phenyl]-3-phenylprop-2-en-1-one
CID 155534457
1-p-tolyl-2-(4-p-tolyl-1H-1,2,3-triazol-1-yl)ethanone
CID 53321267
1-phenyl-2-(4-phenyl-1H-1,2,3-triazol-1-yl)ethan-1-one
CID 16720859
2-[[4-(Hydroxymethyl)triazol-1-yl]methyl]anthracene-9,10-dione
CID 137645966
2-(4-(4-fluoro-3-methylphenyl)-1H-1,2,3-triazol-1-yl)-1-p-tolylethanone
CID 25268881
1-Phenyl-2-(4-phenyltriazol-1-yl)butan-1-one
CID 49843807
2-(4-Phenyl-1h-1,2,3-triazol-1-yl)-1-(p-tolyl) ethan-1-one
CID 49843808
1-Phenyl-2-(4-p-tolyl-[1,2,3]triazol-1-yl)-ethanone
CID 49843809

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]phenyl]-phenylmethanone (CID 24793536) is [4-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(Cn2cc(CCCO)nn2)cc1.
What is the InChIKey of [4-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]phenyl]-phenylmethanone?
The InChIKey is OOXDSEOVRISLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-12-4-7-18-14-22(21-20-18)13-15-8-10-17(11-9-15)19(24)16-5-2-1-3-6-16/h1-3,5-6,8-11,14,23H,4,7,12-13H2.
What are the key properties of [4-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]phenyl]-phenylmethanone?
[4-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]phenyl]-phenylmethanone has a molecular weight of 321.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]phenyl]-phenylmethanone is sourced from PubChem (CID 24793536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).