1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole

C21H17ClN2O2 — CID 59272957

IUPAC1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole
SMILESCOc1ccc(-n2ncc3c(OCc4ccccc4)cccc32)cc1Cl
InChIInChI=1S/C21H17ClN2O2/c1-25-21-11-10-16(12-18(21)22)24-19-8-5-9-20(17(19)13-23-24)26-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3
InChIKeySRNMFOKHOAFGIL-UHFFFAOYSA-N
MW364.83 g/mol
LogP5.27
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole

1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole (PubChem CID 59272957) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole
PubChem CID59272957
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole
SMILESCOc1ccc(-n2ncc3c(OCc4ccccc4)cccc32)cc1Cl
InChIInChI=1S/C21H17ClN2O2/c1-25-21-11-10-16(12-18(21)22)24-19-8-5-9-20(17(19)13-23-24)26-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3
InChIKeySRNMFOKHOAFGIL-UHFFFAOYSA-N
XLogP5.27
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.83
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-4-phenylmethoxyphenyl)-4-methylindazole
CID 71066878
1-methyl-4-phenylmethoxyindazole
CID 143030970
1-(3-chlorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-1,2,4-triazole
CID 1356374
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
2-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82133516
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
N-(3-chloro-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 41476106
1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 134103228
(2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone
CID 15430946
1-ethyl-2-methyl-4-phenylmethoxyindole
CID 143459562
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide
CID 17220216
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole (CID 59272957) is 1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole is COc1ccc(-n2ncc3c(OCc4ccccc4)cccc32)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole?
The InChIKey is SRNMFOKHOAFGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c1-25-21-11-10-16(12-18(21)22)24-19-8-5-9-20(17(19)13-23-24)26-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole?
1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole has a molecular weight of 364.83 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole is sourced from PubChem (CID 59272957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).