[1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol

C16H14ClFN2O2 — CID 66859436

IUPAC[1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol
SMILESCOc1ccc(Cl)cc1Cn1nc(CO)c2cc(F)ccc21
InChIInChI=1S/C16H14ClFN2O2/c1-22-16-5-2-11(17)6-10(16)8-20-15-4-3-12(18)7-13(15)14(9-21)19-20/h2-7,21H,8-9H2,1H3
InChIKeyMVJMLGPPONSXMC-UHFFFAOYSA-N
MW320.75 g/mol
LogP3.38
Rot. Bonds4

About [1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol

[1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol (PubChem CID 66859436) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is [1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol
PubChem CID66859436
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC Name[1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol
SMILESCOc1ccc(Cl)cc1Cn1nc(CO)c2cc(F)ccc21
InChIInChI=1S/C16H14ClFN2O2/c1-22-16-5-2-11(17)6-10(16)8-20-15-4-3-12(18)7-13(15)14(9-21)19-20/h2-7,21H,8-9H2,1H3
InChIKeyMVJMLGPPONSXMC-UHFFFAOYSA-N
XLogP3.38
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol 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-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
CID 43647441
1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole
CID 63852001
[3-[(2-amino-4-chloro-8-fluoropyrimido[5,4-b]indol-5-yl)methyl]-4-methoxyphenyl]methanol
CID 177265516
[1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol
CID 66398877
4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline
CID 78901448
3-[(5-chloro-2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid
CID 16611101
2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol
CID 63661823
[1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647581
3-[5-chloro-1-[(2,4-difluorophenyl)methyl]indazol-3-yl]prop-2-enoic acid
CID 66888344
1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde
CID 43647283
1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 11383800
4-chloro-2-(fluoromethyl)-1-methoxybenzene
CID 142810663

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol?
The IUPAC name of [1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol (CID 66859436) is [1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol.
What is the SMILES notation for [1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol?
The canonical SMILES for [1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol is COc1ccc(Cl)cc1Cn1nc(CO)c2cc(F)ccc21.
What is the InChIKey of [1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol?
The InChIKey is MVJMLGPPONSXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c1-22-16-5-2-11(17)6-10(16)8-20-15-4-3-12(18)7-13(15)14(9-21)19-20/h2-7,21H,8-9H2,1H3.
What are the key properties of [1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol?
[1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol has a molecular weight of 320.75 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol is sourced from PubChem (CID 66859436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).