(1S)-3-[2,6-di(propan-2-yl)phenyl]imino-1,7-dimethyl-1,2-dihydroinden-4-ol

C23H29NO — CID 136738238

IUPAC(1S)-3-[2,6-di(propan-2-yl)phenyl]imino-1,7-dimethyl-1,2-dihydroinden-4-ol
SMILESCc1ccc(O)c2c1[C@@H](C)C/C2=N\c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C23H29NO/c1-13(2)17-8-7-9-18(14(3)4)23(17)24-19-12-16(6)21-15(5)10-11-20(25)22(19)21/h7-11,13-14,16,25H,12H2,1-6H3/b24-19+/t16-/m0/s1
InChIKeyDMHFHWXIWRXJQI-UAFKWENTSA-N
MW335.49 g/mol
LogP6.58
Rot. Bonds3

About (1S)-3-[2,6-di(propan-2-yl)phenyl]imino-1,7-dimethyl-1,2-dihydroinden-4-ol

(1S)-3-[2,6-di(propan-2-yl)phenyl]imino-1,7-dimethyl-1,2-dihydroinden-4-ol (PubChem CID 136738238) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is (1S)-3-[2,6-di(propan-2-yl)phenyl]imino-1,7-dimethyl-1,2-dihydroinden-4-ol.

Molecular Properties

Compound Name(1S)-3-[2,6-di(propan-2-yl)phenyl]imino-1,7-dimethyl-1,2-dihydroinden-4-ol
PubChem CID136738238
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name(1S)-3-[2,6-di(propan-2-yl)phenyl]imino-1,7-dimethyl-1,2-dihydroinden-4-ol
SMILESCc1ccc(O)c2c1[C@@H](C)C/C2=N\c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C23H29NO/c1-13(2)17-8-7-9-18(14(3)4)23(17)24-19-12-16(6)21-15(5)10-11-20(25)22(19)21/h7-11,13-14,16,25H,12H2,1-6H3/b24-19+/t16-/m0/s1
InChIKeyDMHFHWXIWRXJQI-UAFKWENTSA-N
XLogP6.58
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol
CID 175998451
2-phenyl-3-propan-2-ylphenol
CID 54177325
N-[2,6-di(propan-2-yl)phenyl]bicyclo[2.2.1]heptan-2-imine
CID 121355279
8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one
CID 121000728
2,6-di(propan-2-yl)phenol;silver
CID 174803720
3-[2,6-di(propan-2-yl)phenyl]imino-1,4,7-trimethylindol-2-one
CID 139203243
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
8-propan-2-ylnaphthalen-1-ol
CID 10465049
2-bromo-6-propan-2-ylphenol
CID 14663965

Frequently Asked Questions

What is the IUPAC name of (1S)-3-[2,6-di(propan-2-yl)phenyl]imino-1,7-dimethyl-1,2-dihydroinden-4-ol?
The IUPAC name of (1S)-3-[2,6-di(propan-2-yl)phenyl]imino-1,7-dimethyl-1,2-dihydroinden-4-ol (CID 136738238) is (1S)-3-[2,6-di(propan-2-yl)phenyl]imino-1,7-dimethyl-1,2-dihydroinden-4-ol.
What is the SMILES notation for (1S)-3-[2,6-di(propan-2-yl)phenyl]imino-1,7-dimethyl-1,2-dihydroinden-4-ol?
The canonical SMILES for (1S)-3-[2,6-di(propan-2-yl)phenyl]imino-1,7-dimethyl-1,2-dihydroinden-4-ol is Cc1ccc(O)c2c1[C@@H](C)C/C2=N\c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of (1S)-3-[2,6-di(propan-2-yl)phenyl]imino-1,7-dimethyl-1,2-dihydroinden-4-ol?
The InChIKey is DMHFHWXIWRXJQI-UAFKWENTSA-N. The full InChI is InChI=1S/C23H29NO/c1-13(2)17-8-7-9-18(14(3)4)23(17)24-19-12-16(6)21-15(5)10-11-20(25)22(19)21/h7-11,13-14,16,25H,12H2,1-6H3/b24-19+/t16-/m0/s1.
What are the key properties of (1S)-3-[2,6-di(propan-2-yl)phenyl]imino-1,7-dimethyl-1,2-dihydroinden-4-ol?
(1S)-3-[2,6-di(propan-2-yl)phenyl]imino-1,7-dimethyl-1,2-dihydroinden-4-ol has a molecular weight of 335.49 g/mol, XLogP of 6.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-[2,6-di(propan-2-yl)phenyl]imino-1,7-dimethyl-1,2-dihydroinden-4-ol is sourced from PubChem (CID 136738238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).