2,6-ditert-butyl-4-(9H-xanthen-9-yl)phenol

C27H30O2 — CID 139095938

IUPAC2,6-ditert-butyl-4-(9H-xanthen-9-yl)phenol
SMILESCC(C)(C)c1cc(C2c3ccccc3Oc3ccccc32)cc(C(C)(C)C)c1O
InChIInChI=1S/C27H30O2/c1-26(2,3)20-15-17(16-21(25(20)28)27(4,5)6)24-18-11-7-9-13-22(18)29-23-14-10-8-12-19(23)24/h7-16,24,28H,1-6H3
InChIKeyYTLXYGYDGNGRDB-UHFFFAOYSA-N
MW386.54 g/mol
LogP7.27
Rot. Bonds1

About 2,6-ditert-butyl-4-(9H-xanthen-9-yl)phenol

2,6-ditert-butyl-4-(9H-xanthen-9-yl)phenol (PubChem CID 139095938) has the molecular formula C27H30O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(9H-xanthen-9-yl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(9H-xanthen-9-yl)phenol
PubChem CID139095938
Molecular FormulaC27H30O2
Molecular Weight386.54 g/mol
Exact Mass386.22
IUPAC Name2,6-ditert-butyl-4-(9H-xanthen-9-yl)phenol
SMILESCC(C)(C)c1cc(C2c3ccccc3Oc3ccccc32)cc(C(C)(C)C)c1O
InChIInChI=1S/C27H30O2/c1-26(2,3)20-15-17(16-21(25(20)28)27(4,5)6)24-18-11-7-9-13-22(18)29-23-14-10-8-12-19(23)24/h7-16,24,28H,1-6H3
InChIKeyYTLXYGYDGNGRDB-UHFFFAOYSA-N
XLogP7.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methyl-4H-chromene-3-carboxylate
CID 177440750
2,6-ditert-butyl-4-[(7S)-6-phenyl-7H-benzo[c]xanthen-7-yl]phenol
CID 139095552
2-methylpropane;9-phenyl-9H-xanthene
CID 158880886
3-(3,5-ditert-butyl-4-hydroxyphenyl)naphthalene-1,2,4-trione
CID 91563497
[(2S,3S)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-naphthalen-2-ylmethanone
CID 164679515
4-tert-butyl-9H-xanthen-9-ol
CID 102278756
9-amino-9H-xanthen-3-ol
CID 10443193
2-bromo-N-[(3R,4S)-4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-ethyl-2-oxo-4H-chromen-3-yl]benzamide
CID 139193229
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 22895103
2,4-ditert-butyl-6-(9H-fluoren-9-yl)phenol;titanium;dihydrochloride
CID 87486951
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(9H-xanthen-9-yl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(9H-xanthen-9-yl)phenol (CID 139095938) is 2,6-ditert-butyl-4-(9H-xanthen-9-yl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(9H-xanthen-9-yl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(9H-xanthen-9-yl)phenol is CC(C)(C)c1cc(C2c3ccccc3Oc3ccccc32)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-(9H-xanthen-9-yl)phenol?
The InChIKey is YTLXYGYDGNGRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O2/c1-26(2,3)20-15-17(16-21(25(20)28)27(4,5)6)24-18-11-7-9-13-22(18)29-23-14-10-8-12-19(23)24/h7-16,24,28H,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-(9H-xanthen-9-yl)phenol?
2,6-ditert-butyl-4-(9H-xanthen-9-yl)phenol has a molecular weight of 386.54 g/mol, XLogP of 7.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(9H-xanthen-9-yl)phenol is sourced from PubChem (CID 139095938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).