(1-tert-butylindazol-3-yl)-(3-hydroxyphenyl)methanone

C18H18N2O2 — CID 170857549

IUPAC(1-tert-butylindazol-3-yl)-(3-hydroxyphenyl)methanone
SMILESCC(C)(C)n1nc(C(=O)c2cccc(O)c2)c2ccccc21
InChIInChI=1S/C18H18N2O2/c1-18(2,3)20-15-10-5-4-9-14(15)16(19-20)17(22)12-7-6-8-13(21)11-12/h4-11,21H,1-3H3
InChIKeyIENSQZVUXOQNTJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.73
Rot. Bonds2

About (1-tert-butylindazol-3-yl)-(3-hydroxyphenyl)methanone

(1-tert-butylindazol-3-yl)-(3-hydroxyphenyl)methanone (PubChem CID 170857549) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (1-tert-butylindazol-3-yl)-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(1-tert-butylindazol-3-yl)-(3-hydroxyphenyl)methanone
PubChem CID170857549
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(1-tert-butylindazol-3-yl)-(3-hydroxyphenyl)methanone
SMILESCC(C)(C)n1nc(C(=O)c2cccc(O)c2)c2ccccc21
InChIInChI=1S/C18H18N2O2/c1-18(2,3)20-15-10-5-4-9-14(15)16(19-20)17(22)12-7-6-8-13(21)11-12/h4-11,21H,1-3H3
InChIKeyIENSQZVUXOQNTJ-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone
CID 103124566
(3-hydroxyphenyl)-(2-methylphenyl)methanone
CID 68613493
1-tert-butyl-3-phenylindazole
CID 59633775
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
(3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 154713295
benzene-1,3-diol;benzoic acid
CID 53446063
CID 66671873
CID 66671873
3-hydroxybenzoic acid;hydrochloride
CID 118389750
CID 174830791
CID 174830791
(3,4-dichlorophenyl)-(3-hydroxyphenyl)methanone
CID 12639783
1-(3-hydroxyphenyl)-3,3-dimethylbutan-1-one
CID 68669606
1-(1-methylindazol-3-yl)-3-phenylpropane-1,3-dione
CID 103119110

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylindazol-3-yl)-(3-hydroxyphenyl)methanone?
The IUPAC name of (1-tert-butylindazol-3-yl)-(3-hydroxyphenyl)methanone (CID 170857549) is (1-tert-butylindazol-3-yl)-(3-hydroxyphenyl)methanone.
What is the SMILES notation for (1-tert-butylindazol-3-yl)-(3-hydroxyphenyl)methanone?
The canonical SMILES for (1-tert-butylindazol-3-yl)-(3-hydroxyphenyl)methanone is CC(C)(C)n1nc(C(=O)c2cccc(O)c2)c2ccccc21.
What is the InChIKey of (1-tert-butylindazol-3-yl)-(3-hydroxyphenyl)methanone?
The InChIKey is IENSQZVUXOQNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-18(2,3)20-15-10-5-4-9-14(15)16(19-20)17(22)12-7-6-8-13(21)11-12/h4-11,21H,1-3H3.
What are the key properties of (1-tert-butylindazol-3-yl)-(3-hydroxyphenyl)methanone?
(1-tert-butylindazol-3-yl)-(3-hydroxyphenyl)methanone has a molecular weight of 294.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylindazol-3-yl)-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 170857549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).