2-tert-butyl-6-(3,4-diphenylcyclopenta-2,4-dien-1-yl)phenol

C27H26O — CID 101333517

IUPAC2-tert-butyl-6-(3,4-diphenylcyclopenta-2,4-dien-1-yl)phenol
SMILESCC(C)(C)c1cccc(C2C=C(c3ccccc3)C(c3ccccc3)=C2)c1O
InChIInChI=1S/C27H26O/c1-27(2,3)25-16-10-15-22(26(25)28)21-17-23(19-11-6-4-7-12-19)24(18-21)20-13-8-5-9-14-20/h4-18,21,28H,1-3H3
InChIKeyYJSVZWAHARIKCA-UHFFFAOYSA-N
MW366.50 g/mol
LogP6.95
Rot. Bonds3

About 2-tert-butyl-6-(3,4-diphenylcyclopenta-2,4-dien-1-yl)phenol

2-tert-butyl-6-(3,4-diphenylcyclopenta-2,4-dien-1-yl)phenol (PubChem CID 101333517) has the molecular formula C27H26O and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-tert-butyl-6-(3,4-diphenylcyclopenta-2,4-dien-1-yl)phenol.

Molecular Properties

Compound Name2-tert-butyl-6-(3,4-diphenylcyclopenta-2,4-dien-1-yl)phenol
PubChem CID101333517
Molecular FormulaC27H26O
Molecular Weight366.50 g/mol
Exact Mass366.20
IUPAC Name2-tert-butyl-6-(3,4-diphenylcyclopenta-2,4-dien-1-yl)phenol
SMILESCC(C)(C)c1cccc(C2C=C(c3ccccc3)C(c3ccccc3)=C2)c1O
InChIInChI=1S/C27H26O/c1-27(2,3)25-16-10-15-22(26(25)28)21-17-23(19-11-6-4-7-12-19)24(18-21)20-13-8-5-9-14-20/h4-18,21,28H,1-3H3
InChIKeyYJSVZWAHARIKCA-UHFFFAOYSA-N
XLogP6.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-6-cyclopropylphenol
CID 139975684
3,6-ditert-butyl-2-phenylphenol
CID 88520586
bis(2,6-ditert-butylphenol);methanidylbenzene;zirconium(2+)
CID 134902480
2,6-ditert-butylphenol;hydrazine;hydrate
CID 174824895
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
2-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol
CID 140654343
2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol
CID 141043796
2-tert-butyl-6-methylphenol
CID 16678
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol
CID 23082358
2-tert-butyl-6-methylphenol;methane
CID 159779150
1-tert-butyl-9H-fluoren-9-ol
CID 126502935
tris(1,2-ditert-butylbenzene);methanol
CID 175055057

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3,4-diphenylcyclopenta-2,4-dien-1-yl)phenol?
The IUPAC name of 2-tert-butyl-6-(3,4-diphenylcyclopenta-2,4-dien-1-yl)phenol (CID 101333517) is 2-tert-butyl-6-(3,4-diphenylcyclopenta-2,4-dien-1-yl)phenol.
What is the SMILES notation for 2-tert-butyl-6-(3,4-diphenylcyclopenta-2,4-dien-1-yl)phenol?
The canonical SMILES for 2-tert-butyl-6-(3,4-diphenylcyclopenta-2,4-dien-1-yl)phenol is CC(C)(C)c1cccc(C2C=C(c3ccccc3)C(c3ccccc3)=C2)c1O.
What is the InChIKey of 2-tert-butyl-6-(3,4-diphenylcyclopenta-2,4-dien-1-yl)phenol?
The InChIKey is YJSVZWAHARIKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O/c1-27(2,3)25-16-10-15-22(26(25)28)21-17-23(19-11-6-4-7-12-19)24(18-21)20-13-8-5-9-14-20/h4-18,21,28H,1-3H3.
What are the key properties of 2-tert-butyl-6-(3,4-diphenylcyclopenta-2,4-dien-1-yl)phenol?
2-tert-butyl-6-(3,4-diphenylcyclopenta-2,4-dien-1-yl)phenol has a molecular weight of 366.50 g/mol, XLogP of 6.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3,4-diphenylcyclopenta-2,4-dien-1-yl)phenol is sourced from PubChem (CID 101333517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).