4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol

C26H28O — CID 172797617

IUPAC4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol
SMILESCC(C)(C)c1ccc2c(c1)CCC(c1ccccc1)C2c1ccc(O)cc1
InChIInChI=1S/C26H28O/c1-26(2,3)21-12-16-24-20(17-21)11-15-23(18-7-5-4-6-8-18)25(24)19-9-13-22(27)14-10-19/h4-10,12-14,16-17,23,25,27H,11,15H2,1-3H3
InChIKeyQKRJIIBIGVMQTB-UHFFFAOYSA-N
MW356.51 g/mol
LogP6.55
Rot. Bonds2

About 4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol

4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol (PubChem CID 172797617) has the molecular formula C26H28O and a molecular weight of 356.51 g/mol. Its IUPAC name is 4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol.

Molecular Properties

Compound Name4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol
PubChem CID172797617
Molecular FormulaC26H28O
Molecular Weight356.51 g/mol
Exact Mass356.21
IUPAC Name4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol
SMILESCC(C)(C)c1ccc2c(c1)CCC(c1ccccc1)C2c1ccc(O)cc1
InChIInChI=1S/C26H28O/c1-26(2,3)21-12-16-24-20(17-21)11-15-23(18-7-5-4-6-8-18)25(24)19-9-13-22(27)14-10-19/h4-10,12-14,16-17,23,25,27H,11,15H2,1-3H3
InChIKeyQKRJIIBIGVMQTB-UHFFFAOYSA-N
XLogP6.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 169315914
(5R,6S)-5-[4-(methylamino)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923514
(5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 146606440
[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate
CID 164923584
(5R,6S)-6-phenyl-5-(4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134579787
5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923642
(5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 139330652
1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid
CID 164923007
4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butanal
CID 134582383
(5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134582698
(5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134562590
1-[4-[(1R,2S)-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbaldehyde
CID 170707109

Frequently Asked Questions

What is the IUPAC name of 4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol?
The IUPAC name of 4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol (CID 172797617) is 4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol.
What is the SMILES notation for 4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol?
The canonical SMILES for 4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol is CC(C)(C)c1ccc2c(c1)CCC(c1ccccc1)C2c1ccc(O)cc1.
What is the InChIKey of 4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol?
The InChIKey is QKRJIIBIGVMQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O/c1-26(2,3)21-12-16-24-20(17-21)11-15-23(18-7-5-4-6-8-18)25(24)19-9-13-22(27)14-10-19/h4-10,12-14,16-17,23,25,27H,11,15H2,1-3H3.
What are the key properties of 4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol?
4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol has a molecular weight of 356.51 g/mol, XLogP of 6.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol is sourced from PubChem (CID 172797617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).