4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol

C21H18N2O — CID 166627727

IUPAC4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol
SMILESCCc1cccc(-c2n[nH]c3cc(-c4ccc(O)cc4)ccc23)c1
InChIInChI=1S/C21H18N2O/c1-2-14-4-3-5-17(12-14)21-19-11-8-16(13-20(19)22-23-21)15-6-9-18(24)10-7-15/h3-13,24H,2H2,1H3,(H,22,23)
InChIKeyHCKPXJISAWAPJT-UHFFFAOYSA-N
MW314.39 g/mol
LogP5.16
Rot. Bonds3

About 4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol

4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol (PubChem CID 166627727) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol
PubChem CID166627727
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol
SMILESCCc1cccc(-c2n[nH]c3cc(-c4ccc(O)cc4)ccc23)c1
InChIInChI=1S/C21H18N2O/c1-2-14-4-3-5-17(12-14)21-19-11-8-16(13-20(19)22-23-21)15-6-9-18(24)10-7-15/h3-13,24H,2H2,1H3,(H,22,23)
InChIKeyHCKPXJISAWAPJT-UHFFFAOYSA-N
XLogP5.16
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
CID 143388635
6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole
CID 163234517
1-ethyl-3-phenylbenzene;propane
CID 145466525
6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole
CID 163234729
4-[3-(fluoromethyl)phenyl]phenol
CID 174968947
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
4-(3-ethylphenyl)-3-fluorophenol
CID 83130273
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
1-ethyl-3-[4-(iodomethyl)phenyl]benzene
CID 138533012
4-(3-benzylphenyl)phenol
CID 101277658
3-ethylphenol;4-ethylphenol
CID 70541430
3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid
CID 170838850

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol?
The IUPAC name of 4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol (CID 166627727) is 4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol.
What is the SMILES notation for 4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol?
The canonical SMILES for 4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol is CCc1cccc(-c2n[nH]c3cc(-c4ccc(O)cc4)ccc23)c1.
What is the InChIKey of 4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol?
The InChIKey is HCKPXJISAWAPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-2-14-4-3-5-17(12-14)21-19-11-8-16(13-20(19)22-23-21)15-6-9-18(24)10-7-15/h3-13,24H,2H2,1H3,(H,22,23).
What are the key properties of 4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol?
4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol has a molecular weight of 314.39 g/mol, XLogP of 5.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol is sourced from PubChem (CID 166627727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).