4-(3-methoxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol

C19H21N3O2 — CID 15477789

IUPAC4-(3-methoxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCOc1cccc(CC(n2cncn2)C(C)(O)c2ccccc2)c1
InChIInChI=1S/C19H21N3O2/c1-19(23,16-8-4-3-5-9-16)18(22-14-20-13-21-22)12-15-7-6-10-17(11-15)24-2/h3-11,13-14,18,23H,12H2,1-2H3
InChIKeyDVBZLPJNTLOKLR-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.98
Rot. Bonds6

About 4-(3-methoxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol

4-(3-methoxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 15477789) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID15477789
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-(3-methoxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCOc1cccc(CC(n2cncn2)C(C)(O)c2ccccc2)c1
InChIInChI=1S/C19H21N3O2/c1-19(23,16-8-4-3-5-9-16)18(22-14-20-13-21-22)12-15-7-6-10-17(11-15)24-2/h3-11,13-14,18,23H,12H2,1-2H3
InChIKeyDVBZLPJNTLOKLR-UHFFFAOYSA-N
XLogP2.98
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 94042520
2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200
N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42957341
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
1-(3-methoxyphenyl)-3-methylpentane-2,3-diol
CID 103448604
1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 111334657
4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 79418575
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
1-(3-methoxyphenyl)-1-(1,2,4-triazol-1-yl)butan-2-amine
CID 55018404
2-(3-methoxyphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131044

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of 4-(3-methoxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol (CID 15477789) is 4-(3-methoxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for 4-(3-methoxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol is COc1cccc(CC(n2cncn2)C(C)(O)c2ccccc2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is DVBZLPJNTLOKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19(23,16-8-4-3-5-9-16)18(22-14-20-13-21-22)12-15-7-6-10-17(11-15)24-2/h3-11,13-14,18,23H,12H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol?
4-(3-methoxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 323.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 15477789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).