cyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol

C27H30N2O — CID 143372409

IUPACcyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol
SMILESC1CCC1.Cc1cccc(CC(C)(O)c2ccc3c(cnn3-c3ccccc3)c2)c1
InChIInChI=1S/C23H22N2O.C4H8/c1-17-7-6-8-18(13-17)15-23(2,26)20-11-12-22-19(14-20)16-24-25(22)21-9-4-3-5-10-21;1-2-4-3-1/h3-14,16,26H,15H2,1-2H3;1-4H2
InChIKeyXNUIPDQURPPGJR-UHFFFAOYSA-N
MW398.55 g/mol
LogP6.34
Rot. Bonds4

About cyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol

cyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol (PubChem CID 143372409) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is cyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol.

Molecular Properties

Compound Namecyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol
PubChem CID143372409
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC Namecyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol
SMILESC1CCC1.Cc1cccc(CC(C)(O)c2ccc3c(cnn3-c3ccccc3)c2)c1
InChIInChI=1S/C23H22N2O.C4H8/c1-17-7-6-8-18(13-17)15-23(2,26)20-11-12-22-19(14-20)16-24-25(22)21-9-4-3-5-10-21;1-2-4-3-1/h3-14,16,26H,15H2,1-2H3;1-4H2
InChIKeyXNUIPDQURPPGJR-UHFFFAOYSA-N
XLogP6.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-bis(3-methylphenyl)propan-2-ol
CID 60798209
2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol
CID 60799213
1-[1-(4-methoxyphenyl)indazol-5-yl]-2-naphthalen-1-ylpropan-2-ol
CID 143371944
1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol
CID 150429566
1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
CID 15980364
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
CID 15980493
1-phenylindazol-5-amine
CID 83414114
1-(1-phenylindazol-5-yl)propan-2-ol
CID 69178266
2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol
CID 104735632
fluoroform;1-[1-(3-fluorophenyl)indazol-5-yl]-1-naphthalen-1-ylethanol
CID 143372248
2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
CID 15980495
1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol
CID 151959863

Frequently Asked Questions

What is the IUPAC name of cyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol?
The IUPAC name of cyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol (CID 143372409) is cyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol.
What is the SMILES notation for cyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol?
The canonical SMILES for cyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol is C1CCC1.Cc1cccc(CC(C)(O)c2ccc3c(cnn3-c3ccccc3)c2)c1.
What is the InChIKey of cyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol?
The InChIKey is XNUIPDQURPPGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O.C4H8/c1-17-7-6-8-18(13-17)15-23(2,26)20-11-12-22-19(14-20)16-24-25(22)21-9-4-3-5-10-21;1-2-4-3-1/h3-14,16,26H,15H2,1-2H3;1-4H2.
What are the key properties of cyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol?
cyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol has a molecular weight of 398.55 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol is sourced from PubChem (CID 143372409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).