2-[3-tert-butyl-2-(1H-inden-1-yl)phenyl]-4-methylphenol

C26H26O — CID 175463803

IUPAC2-[3-tert-butyl-2-(1H-inden-1-yl)phenyl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cccc(C(C)(C)C)c2C2C=Cc3ccccc32)c1
InChIInChI=1S/C26H26O/c1-17-12-15-24(27)22(16-17)20-10-7-11-23(26(2,3)4)25(20)21-14-13-18-8-5-6-9-19(18)21/h5-16,21,27H,1-4H3
InChIKeyIZLAAFIGWYZRBP-UHFFFAOYSA-N
MW354.49 g/mol
LogP6.82
Rot. Bonds2

About 2-[3-tert-butyl-2-(1H-inden-1-yl)phenyl]-4-methylphenol

2-[3-tert-butyl-2-(1H-inden-1-yl)phenyl]-4-methylphenol (PubChem CID 175463803) has the molecular formula C26H26O and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[3-tert-butyl-2-(1H-inden-1-yl)phenyl]-4-methylphenol.

Molecular Properties

Compound Name2-[3-tert-butyl-2-(1H-inden-1-yl)phenyl]-4-methylphenol
PubChem CID175463803
Molecular FormulaC26H26O
Molecular Weight354.49 g/mol
Exact Mass354.20
IUPAC Name2-[3-tert-butyl-2-(1H-inden-1-yl)phenyl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cccc(C(C)(C)C)c2C2C=Cc3ccccc32)c1
InChIInChI=1S/C26H26O/c1-17-12-15-24(27)22(16-17)20-10-7-11-23(26(2,3)4)25(20)21-14-13-18-8-5-6-9-19(18)21/h5-16,21,27H,1-4H3
InChIKeyIZLAAFIGWYZRBP-UHFFFAOYSA-N
XLogP6.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene
CID 143619734
2-(2-hydroxyphenyl)-4-methylphenol
CID 10035680
1-tert-butyl-9H-fluoren-9-ol
CID 126502935
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
CID 141431215
2-tert-butyl-6-[5-methyl-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]phenol
CID 139965330
2-(2,3-ditert-butylphenyl)phenol
CID 19881409
2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol
CID 118264416
hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol
CID 159043640
2-tert-butylphenol;toluene
CID 175493501
2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol
CID 101179885
2-[2-(1H-inden-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride
CID 87501421
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-2-(1H-inden-1-yl)phenyl]-4-methylphenol?
The IUPAC name of 2-[3-tert-butyl-2-(1H-inden-1-yl)phenyl]-4-methylphenol (CID 175463803) is 2-[3-tert-butyl-2-(1H-inden-1-yl)phenyl]-4-methylphenol.
What is the SMILES notation for 2-[3-tert-butyl-2-(1H-inden-1-yl)phenyl]-4-methylphenol?
The canonical SMILES for 2-[3-tert-butyl-2-(1H-inden-1-yl)phenyl]-4-methylphenol is Cc1ccc(O)c(-c2cccc(C(C)(C)C)c2C2C=Cc3ccccc32)c1.
What is the InChIKey of 2-[3-tert-butyl-2-(1H-inden-1-yl)phenyl]-4-methylphenol?
The InChIKey is IZLAAFIGWYZRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O/c1-17-12-15-24(27)22(16-17)20-10-7-11-23(26(2,3)4)25(20)21-14-13-18-8-5-6-9-19(18)21/h5-16,21,27H,1-4H3.
What are the key properties of 2-[3-tert-butyl-2-(1H-inden-1-yl)phenyl]-4-methylphenol?
2-[3-tert-butyl-2-(1H-inden-1-yl)phenyl]-4-methylphenol has a molecular weight of 354.49 g/mol, XLogP of 6.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-2-(1H-inden-1-yl)phenyl]-4-methylphenol is sourced from PubChem (CID 175463803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).