1-[2-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)ethyl]-4-phenyltriazole

C24H22ClN3O2 — CID 102347136

IUPAC1-[2-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)ethyl]-4-phenyltriazole
SMILESCOc1ccc(C(Cn2cc(-c3ccccc3)nn2)OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22ClN3O2/c1-29-22-13-9-20(10-14-22)24(30-17-18-7-11-21(25)12-8-18)16-28-15-23(26-27-28)19-5-3-2-4-6-19/h2-15,24H,16-17H2,1H3
InChIKeyQYVYZEUEKGWDPK-UHFFFAOYSA-N
MW419.91 g/mol
LogP5.57
Rot. Bonds8

About 1-[2-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)ethyl]-4-phenyltriazole

1-[2-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)ethyl]-4-phenyltriazole (PubChem CID 102347136) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)ethyl]-4-phenyltriazole.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)ethyl]-4-phenyltriazole
PubChem CID102347136
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Name1-[2-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)ethyl]-4-phenyltriazole
SMILESCOc1ccc(C(Cn2cc(-c3ccccc3)nn2)OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22ClN3O2/c1-29-22-13-9-20(10-14-22)24(30-17-18-7-11-21(25)12-8-18)16-28-15-23(26-27-28)19-5-3-2-4-6-19/h2-15,24H,16-17H2,1H3
InChIKeyQYVYZEUEKGWDPK-UHFFFAOYSA-N
XLogP5.57
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-phenyltriazole
CID 156580037
1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-(4-methylphenyl)triazole
CID 156580042
3-[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]phenol
CID 53378004
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
1-benzyl-4-(4-chlorophenyl)triazole
CID 24809363
1-(2,2-diethoxyethyl)-4-phenyltriazole
CID 134693344
1-(4-chlorophenyl)-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanone
CID 53321268
(1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol
CID 134927347
1-benzyl-4-(3,5-dimethoxyphenyl)triazole
CID 70640912
2-(4-chlorophenyl)-2-phenylmethoxyethanol
CID 15497795
1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol
CID 139241140
4-tert-butyl-1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole
CID 71462212

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)ethyl]-4-phenyltriazole?
The IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)ethyl]-4-phenyltriazole (CID 102347136) is 1-[2-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)ethyl]-4-phenyltriazole.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)ethyl]-4-phenyltriazole?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)ethyl]-4-phenyltriazole is COc1ccc(C(Cn2cc(-c3ccccc3)nn2)OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)ethyl]-4-phenyltriazole?
The InChIKey is QYVYZEUEKGWDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-29-22-13-9-20(10-14-22)24(30-17-18-7-11-21(25)12-8-18)16-28-15-23(26-27-28)19-5-3-2-4-6-19/h2-15,24H,16-17H2,1H3.
What are the key properties of 1-[2-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)ethyl]-4-phenyltriazole?
1-[2-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)ethyl]-4-phenyltriazole has a molecular weight of 419.91 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)ethyl]-4-phenyltriazole is sourced from PubChem (CID 102347136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).